6-Chloroquinolin-4-amine

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Basic information

CAS: 103028-97-3
Standard SMILES: Nc1ccnc2ccc(Cl)cc12
InChIKey: ANAOKPHXXDXCAL-UHFFFAOYSA-N
Molecular formula: C9H7ClN2
Average molar mass: 178.62 g/mol
Monoisotopic mass: 178.0297759

Names & identifiers

Preferred name: 6-Chloroquinolin-4-amine
IUPAC: 6-chloroquinolin-4-amine

Names & synonyms

6-chloroquinolin-4-amine4-Amino-6-chloroquinoline20028-60-86-Chloro-quinolin-4-ylamineMFCD066583046-chloro-4-quinolylamineCHEMBL4847851F2156-0057103028-97-36-Chloro-4-quinolinamine4-Amino-6-chloroquinolin6-Chloro-4-quinolinamine #

Show more names

6-Chloro-4(1H)-quinolinimine6-Chloroquinolin-4(1H)-imineSCHEMBL21101482ANAOKPHXXDXCAL-UHFFFAOYSA-NDTXSID201309388SMSSF-0533547AB1047BDBM50571366

Database identifiers

CAS: 103028-97-3
PubChem CID: 601400
DTXSID: DTXSID201309388
ChEMBL: CHEMBL4847851
Nikkaji: J1.570.207I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 163

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Compound notes

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