4-(7-methoxy-2-methylquinoline-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine

• ChemBase ID: 698266
• Molecular Formular: C20H18N2O3
• Molecular Mass: 334.36852
• Monoisotopic Mass: 334.13174245
• SMILES: C(=O)(N1c2c(OCC1)cccc2)c1c2c(nc(c1)C)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2C(=O)N1CCOc2c1cccc2)C
• InChI: InChI=1S/C20H18N2O3/c1-13-11-16(15-8-7-14(24-2)12-17(15)21-13)20(23)22-9-10-25-19-6-4-3-5-18(19)22/h3-8,11-12H,9-10H2,1-2H3
• InChIKey: JIVMNKYNAJLQHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-methoxy-2-methylquinoline-4-carbonyl)-3,4-dihydro-2H-1,4-benzoxazine
• IUPAC Traditional name: 4-(7-methoxy-2-methylquinoline-4-carbonyl)-2,3-dihydro-1,4-benzoxazine
• Synonyms: 4-[(7-methoxy-2-methyl-4-quinolinyl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.730694
• LogD (pH = 7.4): 2.7313457
• Log P: 2.731354
• Molar Refractivity: 94.1776 cm^3
• Polarizability: 37.471523 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.38
• LOG S: -4.52
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 2