4-chloroquinolin-7-amine

• ChemBase ID: 90503
• Molecular Formular: C9H7ClN2
• Molecular Mass: 178.61828
• Monoisotopic Mass: 178.02977591
• SMILES: n1ccc(c2ccc(cc12)N)Cl
• Canonical SMILES: Nc1ccc2c(c1)nccc2Cl
• InChI: InChI=1S/C9H7ClN2/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H,11H2
• InChIKey: MSZRIERONARWCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloroquinolin-7-amine
• IUPAC Traditional name: 4-chloroquinolin-7-amine
• Synonyms: 4-Chloroquinolin-7-amine; 7-Amino-4-chloroquinoline

Database IDs

• PubChem SID: 162104757
• PubChem CID: 70700499

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6678293
• LogD (pH = 7.4): 1.9019023
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.957447 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Store under Argon