N-(1-methyl-1H-indol-4-yl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 224595
• Molecular Formular: C19H15N3O2
• Molecular Mass: 317.3413
• Monoisotopic Mass: 317.11642674
• SMILES: c1(C(=O)Nc2c3ccn(c3ccc2)C)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H15N3O2/c1-22-10-9-13-16(7-4-8-17(13)22)21-19(24)14-11-18(23)20-15-6-3-2-5-12(14)15/h2-11H,1H3,(H,20,23)(H,21,24)
• InChIKey: VOLCBAZOBIZNJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-indol-4-yl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: N-(1-methylindol-4-yl)-2-oxo-1H-quinoline-4-carboxamide

Database IDs

• PubChem SID: 164280505
• PubChem CID: 52905121

CALCULATED PROPERTIES

• Acid pKa: 12.805881
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8449695
• LogD (pH = 7.4): 2.8449678
• Log P: 2.8449695
• Molar Refractivity: 95.5389 cm^3
• Polarizability: 35.752518 Å^3
• Polar Surface Area: 63.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds