N-(2-methoxyethyl)-9-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide

• ChemBase ID: 620793
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: c1(c(=O)c2c3n(c1)CCc3ccc2)C(=O)N(CC1OCCC1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2CCc3c2c(c1=O)ccc3)CC1CCCO1
• InChI: InChI=1S/C20H24N2O4/c1-25-11-9-22(12-15-5-3-10-26-15)20(24)17-13-21-8-7-14-4-2-6-16(18(14)21)19(17)23/h2,4,6,13,15H,3,5,7-12H2,1H3
• InChIKey: XSGIVWDXEBLGHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-9-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,10-tetraene-10-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-9-oxo-N-(oxolan-2-ylmethyl)-1-azatricyclo[6.3.1.0^4,^1^2]dodeca-4(12),5,7,10-tetraene-10-carboxamide
• Synonyms: N-(2-methoxyethyl)-6-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4250168
• LogD (pH = 7.4): 1.425017
• Log P: 1.425017
• Molar Refractivity: 99.5512 cm^3
• Polarizability: 37.405033 Å^3
• Polar Surface Area: 59.08 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: 0.28
• LOG S: -3.35
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 6