6-chloroquinolin-2-amine

C9H7ClN2 — CID 14067425

IUPAC6-chloroquinolin-2-amine
SMILESNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyQXGSBXTUXCTJII-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 6-chloroquinolin-2-amine

6-chloroquinolin-2-amine (PubChem CID 14067425) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 6-chloroquinolin-2-amine.

Molecular Properties

Compound Name6-chloroquinolin-2-amine
PubChem CID14067425
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name6-chloroquinolin-2-amine
SMILESNc1ccc2cc(Cl)ccc2n1
InChIInChI=1S/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyQXGSBXTUXCTJII-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloroquinolin-2-amine?
The IUPAC name of 6-chloroquinolin-2-amine (CID 14067425) is 6-chloroquinolin-2-amine.
What is the SMILES notation for 6-chloroquinolin-2-amine?
The canonical SMILES for 6-chloroquinolin-2-amine is Nc1ccc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloroquinolin-2-amine?
The InChIKey is QXGSBXTUXCTJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12).
What are the key properties of 6-chloroquinolin-2-amine?
6-chloroquinolin-2-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 6-chloroquinolin-2-amine is sourced from PubChem (CID 14067425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).