5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one

• ChemBase ID: 129492
• Molecular Formular: C16H12Cl2N2O
• Molecular Mass: 319.18528
• Monoisotopic Mass: 318.03266837
• SMILES: Cc1cc(Cl)ccc1n1c(C)nc2cccc(Cl)c2c1=O
• Canonical SMILES: Clc1ccc(c(c1)C)n1c(C)nc2c(c1=O)c(Cl)ccc2
• InChI: InChI=1S/C16H12Cl2N2O/c1-9-8-11(17)6-7-14(9)20-10(2)19-13-5-3-4-12(18)15(13)16(20)21/h3-8H,1-2H3
• InChIKey: KUIHLOHNUGOCTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-(4-chloro-2-methylphenyl)-2-methyl-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 5-chloro-3-(4-chloro-2-methylphenyl)-2-methylquinazolin-4-one
• Synonyms: SL-164

Database IDs

• CAS Number: 3476-88-8
• PubChem SID: 162223785
• PubChem CID: 63386
• Wikipedia Title: SL-164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.376586
• LogD (pH = 7.4): 4.376586
• Log P: 4.376586
• Molar Refractivity: 86.715 cm^3
• Polarizability: 32.12464 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true