ChemSpider 2D Image | Isopropyl 1-allyl-2'-amino-1'-(isonicotinoylamino)-7',7'-dimethyl-2,5'-dioxo-1,1',2,4',5',6',7',8'-octahydro-3,4'-biquinoline-3'-carboxylate | C33H35N5O5

Isopropyl 1-allyl-2'-amino-1'-(isonicotinoylamino)-7',7'-dimethyl-2,5'-dioxo-1,1',2,4',5',6',7',8'-octahydro-3,4'-biquinoline-3'-carboxylate

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID30830434

More details:

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

[3,4'-Biquinoline]-3'-carboxylic acid, 2'-amino-1,1',2,4',5',6',7',8'-octahydro-7',7'-dimethyl-2,5'-dioxo-1-(2-propen-1-yl)-1'-[(4-pyridinylcarbonyl)amino]-, 1-methylethyl ester [ACD/Index Name]
1-Allyl-2'-amino-1'-(isonicotinoylamino)-7',7'-diméthyl-2,5'-dioxo-1,1',2,4',5',6',7',8'-octahydro-3,4'-biquinoléine-3'-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 1-allyl-2'-amino-1'-(isonicotinoylamino)-7',7'-dimethyl-2,5'-dioxo-1,1',2,4',5',6',7',8'-octahydro-3,4'-biquinoline-3'-carboxylate [ACD/IUPAC Name]
Isopropyl-1-allyl-2'-amino-1'-(isonicotinoylamino)-7',7'-dimethyl-2,5'-dioxo-1,1',2,4',5',6',7',8'-octahydro-3,4'-bichinolin-3'-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 158.81
ACD/KOC (pH 5.5): 1154.41
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.13
ACD/KOC (pH 7.4): 1760.04
Polar Surface Area: 135 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 436.0±5.0 cm3

Click to predict properties on the Chemicalize site


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