2-chloroquinolin-4-amine

C9H7ClN2 — CID 12884651

IUPAC2-chloroquinolin-4-amine
SMILESNc1cc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)
InChIKeyQVCRGJALYOLXDC-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 2-chloroquinolin-4-amine

2-chloroquinolin-4-amine (PubChem CID 12884651) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloroquinolin-4-amine.

Molecular Properties

Compound Name2-chloroquinolin-4-amine
PubChem CID12884651
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name2-chloroquinolin-4-amine
SMILESNc1cc(Cl)nc2ccccc12
InChIInChI=1S/C9H7ClN2/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12)
InChIKeyQVCRGJALYOLXDC-UHFFFAOYSA-N
XLogP2.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.47
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?
The IUPAC name of 2-chloroquinolin-4-amine (CID 12884651) is 2-chloroquinolin-4-amine.
What is the SMILES notation for 2-chloroquinolin-4-amine?
The canonical SMILES for 2-chloroquinolin-4-amine is Nc1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloroquinolin-4-amine?
The InChIKey is QVCRGJALYOLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H,(H2,11,12).
What are the key properties of 2-chloroquinolin-4-amine?
2-chloroquinolin-4-amine has a molecular weight of 178.62 g/mol, XLogP of 2.47, 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 is sourced from PubChem (CID 12884651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).