4-chloro-2-methoxy-6-methylquinoline

• ChemBase ID: 79958
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: n1c(cc(c2cc(ccc12)C)Cl)OC
• Canonical SMILES: COc1cc(Cl)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C11H10ClNO/c1-7-3-4-10-8(5-7)9(12)6-11(13-10)14-2/h3-6H,1-2H3
• InChIKey: IAGRNQIIOSWFLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methoxy-6-methylquinoline
• IUPAC Traditional name: 4-chloro-2-methoxy-6-methylquinoline
• Synonyms: 4-chloro-2-methoxy-6-methylquinoline

Database IDs

• CAS Number: 123637-52-5
• MDL Number: MFCD00218828
• PubChem SID: 162044721
• PubChem CID: 2775662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6851113
• LogD (pH = 7.4): 3.6851523
• Log P: 3.6851528
• Molar Refractivity: 56.602 cm^3
• Polarizability: 23.104065 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true