4-chloro-6-methyl-2-phenylquinoline

• ChemBase ID: 297513
• Molecular Formular: C16H12ClN
• Molecular Mass: 253.72618
• Monoisotopic Mass: 253.06582707
• SMILES: Cc1ccc2c(c1)c(cc(n2)c1ccccc1)Cl
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)cc(n2)c1ccccc1
• InChI: InChI=1S/C16H12ClN/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
• InChIKey: PFLXBAREWKKMOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methyl-2-phenylquinoline
• IUPAC Traditional name: 4-chloro-6-methyl-2-phenylquinoline
• Synonyms: 4-Chloro-6-methyl-2-phenylquinoline; 4-氯-6-甲基-2-苯基喹啉

Database IDs

• CAS Number: 18618-02-5
• MDL Number: MFCD02179777
• PubChem SID: 180683044
• PubChem CID: 7022159

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2804284
• LogD (pH = 7.4): 5.2814293
• Log P: 5.281442
• Molar Refractivity: 74.5895 cm^3
• Polarizability: 31.684866 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A