1-methyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2-dihydroquinolin-2-one

• ChemBase ID: 79689
• Molecular Formular: C28H23N2OP
• Molecular Mass: 434.468781
• Monoisotopic Mass: 434.1548
• SMILES: N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(=O)n(c2ccccc12)C
• Canonical SMILES: O=c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(n1C)cccc2
• InChI: InChI=1S/C28H23N2OP/c1-30-27-20-12-11-19-25(27)26(21-28(30)31)29-32(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-21H,1H3
• InChIKey: TXOMDTBWXFCGPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 1-methyl-4-[(triphenyl-$l^{5}-phosphanylidene)amino]quinolin-2-one
• Synonyms: 1-methyl-4-[(1,1,1-triphenyl-lambda~5~-phosphanylidene)amino]-1,2-dihydroquinolin-2-one

Database IDs

• MDL Number: MFCD00179930
• PubChem SID: 162044452
• PubChem CID: 2775327

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4217954
• LogD (pH = 7.4): 5.4831586
• Log P: 5.484
• Molar Refractivity: 132.0457 cm^3
• Polarizability: 50.71596 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false