methyl 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzoate

• ChemBase ID: 194517
• Molecular Formular: C17H14N2O3
• Molecular Mass: 294.30466
• Monoisotopic Mass: 294.10044232
• SMILES: n1(c(=O)c2c(nc1C)cccc2)c1c(C(=O)OC)cccc1
• Canonical SMILES: COC(=O)c1ccccc1n1c(C)nc2c(c1=O)cccc2
• InChI: InChI=1S/C17H14N2O3/c1-11-18-14-9-5-3-7-12(14)16(20)19(11)15-10-6-4-8-13(15)17(21)22-2/h3-10H,1-2H3
• InChIKey: GWYMSEVUCVMJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzoate
• IUPAC Traditional name: methyl 2-(2-methyl-4-oxoquinazolin-3-yl)benzoate

Database IDs

• PubChem SID: 164250427
• PubChem CID: 16175

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.658552
• LogD (pH = 7.4): 2.658552
• Log P: 2.658552
• Molar Refractivity: 84.0895 cm^3
• Polarizability: 31.016687 Å^3
• Polar Surface Area: 58.97 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds