Found 120 results

Search term: MF = 'C_{26}H_{20}N_{4}'
ChemSpider 2D Image | 5-Methyl-N-(4-methyl-2-quinolinyl)benzimidazo[1,2-a]quinolin-9-amine | C26H20N4

5-Methyl-N-(4-methyl-2-quinolinyl)benzimidazo[1,2-a]quinolin-9-amine

  • Molecular FormulaC26H20N4
  • Average mass388.464 Da
  • Monoisotopic mass388.168793 Da
  • ChemSpider ID4100797

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Methyl-N-(4-methyl-2-chinolinyl)benzimidazo[1,2-a]chinolin-9-amin [German] [ACD/IUPAC Name]
5-Méthyl-N-(4-méthyl-2-quinoléinyl)benzimidazo[1,2-a]quinoléin-9-amine [French] [ACD/IUPAC Name]
5-Methyl-N-(4-methyl-2-quinolinyl)benzimidazo[1,2-a]quinolin-9-amine [ACD/IUPAC Name]
Benzimidazo[1,2-a]quinolin-9-amine, 5-methyl-N-(4-methyl-2-quinolinyl)- [ACD/Index Name]
146903-12-0 [RN]
5-methyl-N-(4-methylquinolin-2-yl)benzimidazo[1,2-a]quinolin-9-amine
5-methyl-N-(4-methylquinolin-2-yl)benzimidazolo[1,2-a]quinolin-9-amine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC01875027 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 607.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.2±3.0 kJ/mol
    Flash Point: 321.1±31.5 °C
    Index of Refraction: 1.721
    Molar Refractivity: 119.8±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.22
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 100.56
    ACD/KOC (pH 5.5): 219.45
    ACD/LogD (pH 7.4): 5.15
    ACD/BCF (pH 7.4): 3261.88
    ACD/KOC (pH 7.4): 7118.83
    Polar Surface Area: 42 Å2
    Polarizability: 47.5±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 303.0±7.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.30

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  634.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  275.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.61E-014  (Modified Grain method)
    Subcooled liquid VP: 9.25E-012 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0001642
       log Kow used: 7.30 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.010994 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Imidazoles

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.53E-018  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.012E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.30  (KowWin est)
  Log Kaw used:  -15.574  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.874
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4382
   Biowin2 (Non-Linear Model)     :   0.0370
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0560  (months      )
   Biowin4 (Primary Survey Model) :   3.0418  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4115
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4259
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.23E-009 Pa (9.25E-012 mm Hg)
  Log Koa (Koawin est  ): 22.874
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.43E+003 
       Octanol/air (Koa) model:  1.84E+010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 379.4326 E-12 cm3/molecule-sec
      Half-Life =     0.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.296 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.874E+007
      Log Koc:  7.459 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.403 (BCF = 2.528e+004)
       log Kow used: 7.30 (estimated)

 Volatilization from Water:
    Henry LC:  6.53E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.767E+014  hours   (7.363E+012 days)
    Half-Life from Model Lake : 1.928E+015  hours   (8.033E+013 days)

 Removal In Wastewater Treatment:
    Total removal:              93.94  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.16  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.69e-006       0.677        1000       
   Water     1.22            1.44e+003    1000       
   Soil      42.6            2.88e+003    1000       
   Sediment  56.2            1.3e+004     0          
     Persistence Time: 6.18e+003 hr

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