N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide

• ChemBase ID: 182237
• Molecular Formular: C22H23N3O4
• Molecular Mass: 393.43572
• Monoisotopic Mass: 393.16885623
• SMILES: c1(c(=O)n(c2c(c1O)cccc2)CCCCC)C(=O)Nc1c(C(=O)N)cccc1
• Canonical SMILES: CCCCCn1c(=O)c(C(=O)Nc2ccccc2C(=O)N)c(c2c1cccc2)O
• InChI: InChI=1S/C22H23N3O4/c1-2-3-8-13-25-17-12-7-5-10-15(17)19(26)18(22(25)29)21(28)24-16-11-6-4-9-14(16)20(23)27/h4-7,9-12,26H,2-3,8,13H2,1H3,(H2,23,27)(H,24,28)
• InChIKey: ZFGSFFRHWKXHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide
• IUPAC Traditional name: N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

Database IDs

• PubChem SID: 164238147
• PubChem CID: 54686518

CALCULATED PROPERTIES

• Acid pKa: 5.985475
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.875659
• LogD (pH = 7.4): 1.5837637
• Log P: 2.9983144
• Molar Refractivity: 112.192 cm^3
• Polarizability: 41.44612 Å^3
• Polar Surface Area: 112.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds