6-chloro-2-cyclopropylquinolin-4-amine

• ChemBase ID: 237074
• Molecular Formular: C12H11ClN2
• Molecular Mass: 218.68214
• Monoisotopic Mass: 218.06107604
• SMILES: n1c(C2CC2)cc(c2c1ccc(c2)Cl)N
• Canonical SMILES: Clc1ccc2c(c1)c(N)cc(n2)C1CC1
• InChI: InChI=1S/C12H11ClN2/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-7H,1-2H2,(H2,14,15)
• InChIKey: WMDDGWKUTMSOHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-cyclopropylquinolin-4-amine
• IUPAC Traditional name: 6-chloro-2-cyclopropylquinolin-4-amine
• Synonyms: 6-chloro-2-cyclopropylquinolin-4-amine

Database IDs

• MDL Number: MFCD18338101
• PubChem SID: 164292984
• PubChem CID: 63357968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1756226
• LogD (pH = 7.4): 2.3977523
• Log P: 2.8171856
• Molar Refractivity: 61.4752 cm^3
• Polarizability: 24.661041 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 3.45

Product Information

• Purity: 95%