2-chloroquinolin-4-amine;hydrochloride

C9H8Cl2N2 — CID 71627055

IUPAC2-chloroquinolin-4-amine;hydrochloride
SMILESCl.Nc1cc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2.ClH/c10-9-5-7(11)6-3-1-2-4-8(6)12-9;/h1-5H,(H2,11,12);1H
InChIKeyAZJHJCFRBSOANI-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.89
Rot. Bonds

About 2-chloroquinolin-4-amine;hydrochloride

2-chloroquinolin-4-amine;hydrochloride (PubChem CID 71627055) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 2-chloroquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloroquinolin-4-amine;hydrochloride
PubChem CID71627055
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name2-chloroquinolin-4-amine;hydrochloride
SMILESCl.Nc1cc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2.ClH/c10-9-5-7(11)6-3-1-2-4-8(6)12-9;/h1-5H,(H2,11,12);1H
InChIKeyAZJHJCFRBSOANI-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroquinolin-4-amine;hydrochloride?
The IUPAC name of 2-chloroquinolin-4-amine;hydrochloride (CID 71627055) is 2-chloroquinolin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloroquinolin-4-amine;hydrochloride?
The canonical SMILES for 2-chloroquinolin-4-amine;hydrochloride is Cl.Nc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloroquinolin-4-amine;hydrochloride?
The InChIKey is AZJHJCFRBSOANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2.ClH/c10-9-5-7(11)6-3-1-2-4-8(6)12-9;/h1-5H,(H2,11,12);1H.
What are the key properties of 2-chloroquinolin-4-amine;hydrochloride?
2-chloroquinolin-4-amine;hydrochloride has a molecular weight of 215.08 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinolin-4-amine;hydrochloride is sourced from PubChem (CID 71627055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).