N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide

• ChemBase ID: 222313
• Molecular Formular: C19H15N3O
• Molecular Mass: 301.3419
• Monoisotopic Mass: 301.12151212
• SMILES: C(=O)(c1c2c(nc(c1)C)cccc2)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: Cc1nc2ccccc2c(c1)C(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C19H15N3O/c1-12-10-16(15-4-2-3-5-18(15)21-12)19(23)22-14-6-7-17-13(11-14)8-9-20-17/h2-11,20H,1H3,(H,22,23)
• InChIKey: IMGGAFJNYUUWJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide
• IUPAC Traditional name: N-(1H-indol-5-yl)-2-methylquinoline-4-carboxamide

Database IDs

• PubChem SID: 164278223
• PubChem CID: 39377933

CALCULATED PROPERTIES

• Molar Refractivity: 91.1908 cm^3
• Polarizability: 36.63063 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 11.184396
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4525936
• LogD (pH = 7.4): 3.4528456
• Log P: 3.4529173

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds