N-[3-(dimethylamino)propyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

• ChemBase ID: 192306
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(c(c2c([nH]c1=O)CCCC2)O)C(=O)NCCCN(C)C
• Canonical SMILES: CN(CCCNC(=O)c1c(=O)[nH]c2c(c1O)CCCC2)C
• InChI: InChI=1S/C15H23N3O3/c1-18(2)9-5-8-16-14(20)12-13(19)10-6-3-4-7-11(10)17-15(12)21/h3-9H2,1-2H3,(H,16,20)(H2,17,19,21)
• InChIKey: XDFNIQJKGLDLRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-4-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Database IDs

• PubChem SID: 164248216
• PubChem CID: 54680781

CALCULATED PROPERTIES

• Acid pKa: 7.97307
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.67039
• LogD (pH = 7.4): -2.3257506
• Log P: -1.8579481
• Molar Refractivity: 83.0392 cm^3
• Polarizability: 31.000254 Å^3
• Polar Surface Area: 81.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds