N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

• ChemBase ID: 542390
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: C(=O)(N(C(c1ncccc1)COC)C)c1cc2c(N(CCO2)C)cc1
• Canonical SMILES: COCC(N(C(=O)c1ccc2c(c1)OCCN2C)C)c1ccccn1
• InChI: InChI=1S/C19H23N3O3/c1-21-10-11-25-18-12-14(7-8-16(18)21)19(23)22(2)17(13-24-3)15-6-4-5-9-20-15/h4-9,12,17H,10-11,13H2,1-3H3
• InChIKey: JQGAWSSOYZFACY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide
• IUPAC Traditional name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,4-dimethyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
• Synonyms: N-(2-methoxy-1-pyridin-2-ylethyl)-N,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7909905
• LogD (pH = 7.4): 1.8031814
• Log P: 1.8033392
• Molar Refractivity: 96.5749 cm^3
• Polarizability: 36.52807 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.21
• LOG S: -1.42
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 5