2-methyl-3-[3-(1-methylpyrrolidin-2-yl)pyridin-2-yl]-3,4-dihydroquinazolin-4-one

• ChemBase ID: 185868
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: n1(c(=O)c2c(nc1C)cccc2)c1c(C2N(CCC2)C)cccn1
• Canonical SMILES: CN1CCCC1c1cccnc1n1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C19H20N4O/c1-13-21-16-9-4-3-7-14(16)19(24)23(13)18-15(8-5-11-20-18)17-10-6-12-22(17)2/h3-5,7-9,11,17H,6,10,12H2,1-2H3
• InChIKey: OROOVPKHQMEVKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-[3-(1-methylpyrrolidin-2-yl)pyridin-2-yl]-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-methyl-3-[3-(1-methylpyrrolidin-2-yl)pyridin-2-yl]quinazolin-4-one

Database IDs

• PubChem SID: 164241778
• PubChem CID: 3706149

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.20851165
• LogD (pH = 7.4): 1.9276087
• Log P: 2.4388213
• Molar Refractivity: 95.9747 cm^3
• Polarizability: 35.70071 Å^3
• Polar Surface Area: 48.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds