N,3-dimethyl-4-oxo-N-[1-(pyridin-3-yl)pentyl]-3,4-dihydroquinazoline-7-carboxamide

• ChemBase ID: 784960
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(=O)c2c(ncn1C)cc(C(=O)N(C(c1cnccc1)CCCC)C)cc2
• Canonical SMILES: CCCCC(N(C(=O)c1ccc2c(c1)ncn(c2=O)C)C)c1cccnc1
• InChI: InChI=1S/C21H24N4O2/c1-4-5-8-19(16-7-6-11-22-13-16)25(3)20(26)15-9-10-17-18(12-15)23-14-24(2)21(17)27/h6-7,9-14,19H,4-5,8H2,1-3H3
• InChIKey: VQRODQNTGQMQGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3-dimethyl-4-oxo-N-[1-(pyridin-3-yl)pentyl]-3,4-dihydroquinazoline-7-carboxamide
• IUPAC Traditional name: N,3-dimethyl-4-oxo-N-[1-(pyridin-3-yl)pentyl]quinazoline-7-carboxamide
• Synonyms: N,3-dimethyl-4-oxo-N-(1-pyridin-3-ylpentyl)-3,4-dihydroquinazoline-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5125077
• LogD (pH = 7.4): 2.5804884
• Log P: 2.5814457
• Molar Refractivity: 107.2684 cm^3
• Polarizability: 39.39507 Å^3
• Polar Surface Area: 65.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.13
• LOG S: -1.52
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 6