8-amino-6-methyl-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 309290
• Molecular Formular: C10H12N2O
• Molecular Mass: 176.21508
• Monoisotopic Mass: 176.09496301
• SMILES: c12NC(=O)CCc1cc(cc2N)C
• Canonical SMILES: O=C1CCc2c(N1)c(N)cc(c2)C
• InChI: InChI=1S/C10H12N2O/c1-6-4-7-2-3-9(13)12-10(7)8(11)5-6/h4-5H,2-3,11H2,1H3,(H,12,13)
• InChIKey: UYBTVPUMRGXSHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-amino-6-methyl-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 8-amino-6-methyl-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 8-amino-6-methyl-3,4-dihydro-2(1H)-quinolinone

Database IDs

• CAS Number: 1243250-09-0
• MDL Number: MFCD17078857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1967324
• LogD (pH = 7.4): 1.2010587
• Log P: 1.2011143
• Molar Refractivity: 53.9275 cm^3
• Polarizability: 19.22119 Å^3
• Polar Surface Area: 55.12 Å^2