methyl 2-[4-(methoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate

• ChemBase ID: 191303
• Molecular Formular: C22H16N2O4
• Molecular Mass: 372.37344
• Monoisotopic Mass: 372.111007
• SMILES: c1(cc(nc2c1cccc2)c1nc2c(c(c1)C(=O)OC)cccc2)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cccc2)c1nc2ccccc2c(c1)C(=O)OC
• InChI: InChI=1S/C22H16N2O4/c1-27-21(25)15-11-19(23-17-9-5-3-7-13(15)17)20-12-16(22(26)28-2)14-8-4-6-10-18(14)24-20/h3-12H,1-2H3
• InChIKey: LPVYIWDMJJPHFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[4-(methoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate
• IUPAC Traditional name: methyl 2-[4-(methoxycarbonyl)quinolin-2-yl]quinoline-4-carboxylate

Database IDs

• PubChem SID: 164247213
• PubChem CID: 281197

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.7144175
• LogD (pH = 7.4): 4.7144346
• Log P: 4.714435
• Molar Refractivity: 102.3434 cm^3
• Polarizability: 43.432743 Å^3
• Polar Surface Area: 78.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds