N-cyclohexyl-4-oxo-3,4-dihydroquinazoline-2-carboxamide

• ChemBase ID: 628129
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1([nH]c(=O)c2c(n1)cccc2)C(=O)NC1CCCCC1
• Canonical SMILES: O=C(c1nc2ccccc2c(=O)[nH]1)NC1CCCCC1
• InChI: InChI=1S/C15H17N3O2/c19-14-11-8-4-5-9-12(11)17-13(18-14)15(20)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,16,20)(H,17,18,19)
• InChIKey: ULGJVHLOYQANMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-oxo-3,4-dihydroquinazoline-2-carboxamide
• IUPAC Traditional name: N-cyclohexyl-4-oxo-3H-quinazoline-2-carboxamide
• Synonyms: N-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.7917295
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9470699
• LogD (pH = 7.4): 1.8207641
• Log P: 1.9490386
• Molar Refractivity: 76.9179 cm^3
• Polarizability: 28.36384 Å^3
• Polar Surface Area: 70.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.27
• LOG S: -4.03
• Polar Surface Area: 74.85 Å^2
• Rotatable Bonds: 2