2-(quinolin-2-yl)-10H-pyrido[2,3-b]carbazole-4-carboxylic acid

• ChemBase ID: 191450
• Molecular Formular: C25H15N3O2
• Molecular Mass: 389.4055
• Monoisotopic Mass: 389.11642674
• SMILES: c12c(cc3c(nc(cc3C(=O)O)c3nc4c(cc3)cccc4)c2)c2c([nH]1)cccc2
• Canonical SMILES: OC(=O)c1cc(nc2c1cc1c(c2)[nH]c2c1cccc2)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C25H15N3O2/c29-25(30)18-12-24(21-10-9-14-5-1-3-7-19(14)26-21)28-23-13-22-16(11-17(18)23)15-6-2-4-8-20(15)27-22/h1-13,27H,(H,29,30)
• InChIKey: GSHGZKQCVOGBNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-2-yl)-10H-pyrido[2,3-b]carbazole-4-carboxylic acid
• IUPAC Traditional name: 2-(quinolin-2-yl)-10H-pyrido[2,3-b]carbazole-4-carboxylic acid

Database IDs

• PubChem SID: 164247360
• PubChem CID: 6292111

CALCULATED PROPERTIES

• Acid pKa: 3.575641
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.5402982
• LogD (pH = 7.4): 2.123338
• Log P: 5.296377
• Molar Refractivity: 112.9632 cm^3
• Polarizability: 49.902225 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds