1-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 163680
• Molecular Formular: C14H10N2O3
• Molecular Mass: 254.2408
• Monoisotopic Mass: 254.06914219
• SMILES: c1c(cc2c(c1)c(cc(=O)[nH]2)C)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc2c(c1)[nH]c(=O)cc2C
• InChI: InChI=1S/C14H10N2O3/c1-8-6-12(17)15-11-7-9(2-3-10(8)11)16-13(18)4-5-14(16)19/h2-7H,1H3,(H,15,17)
• InChIKey: XHTNRWCYHKFZOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4-methyl-2-oxo-1H-quinolin-7-yl)pyrrole-2,5-dione
• Synonyms: 1-(1,2-Dihydro-4-methyl-2-oxo-7-quinolinyl)-1H-pyrrole-2,5-dione; Carbostyril Maleimide

Database IDs

• CAS Number: 1076199-75-1
• PubChem SID: 162257815
• PubChem CID: 29975475

CALCULATED PROPERTIES

• Acid pKa: 13.55676
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1690218
• LogD (pH = 7.4): 1.1690224
• Log P: 1.1690227
• Molar Refractivity: 71.5289 cm^3
• Polarizability: 25.671698 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C177665

UV-dyes.