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Search term: NYPGJZWAUHDNPD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-2-[4-(dimethylamino)phenyl]-6-nitro-4(3H)-quinazolinone | C29H31N5O5

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

  • Molecular FormulaC29H31N5O5
  • Average mass529.587 Da
  • Monoisotopic mass529.232544 Da
  • ChemSpider ID23225137

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-[4-(dimethylamino)phenyl]-6-nitro-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-[2-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]-2-[4-(diméthylamino)phényl]-6-nitro-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-[2-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-2-[4-(dimethylamino)phenyl]-6-nitro-4(3H)-quinazolinone [ACD/IUPAC Name]
3-[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-[4-(dimethylamino)phenyl]-6-nitroquinazolin-4(3H)-one
4(3H)-Quinazolinone, 3-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-2-[4-(dimethylamino)phenyl]-6-nitro- [ACD/Index Name]
3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4-dimethylamino-phenyl)-6-nitro-3H-quinazolin-4-one
CHEMBL356478
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL356478/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.29
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 37.40
ACD/KOC (pH 7.4): 257.93
Polar Surface Area: 103 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 405.4±7.0 cm3

Click to predict properties on the Chemicalize site


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