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Search term: KJWQAMYUAJXZCQ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-2-[3-(dimethylamino)phenyl]-4(3H)-quinazolinone | C29H32N4O3

3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-2-[3-(dimethylamino)phenyl]-4(3H)-quinazolinone

  • Molecular FormulaC29H32N4O3
  • Average mass484.589 Da
  • Monoisotopic mass484.247437 Da
  • ChemSpider ID23225408

More details:

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

3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)ethyl]-2-[3-(dimethylamino)phenyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-[2-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]-2-[3-(diméthylamino)phényl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-2-[3-(dimethylamino)phenyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[3-(dimethylamino)phenyl]quinazolin-4(3H)-one
4(3H)-Quinazolinone, 3-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-2-[3-(dimethylamino)phenyl]- [ACD/Index Name]
3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(3-dimethylamino-phenyl)-3H-quinazolin-4-one
CHEMBL433715
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433715/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 43.56
ACD/KOC (pH 7.4): 273.14
Polar Surface Area: 58 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 400.2±7.0 cm3

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