4-chloroquinolin-2-amine

C9H7ClN2 — CID 14067407

IUPAC4-chloroquinolin-2-amine
SMILESNc1cc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H2,11,12)
InChIKeyWHFKEBBQPCDRND-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.47
Rot. Bonds

About 4-chloroquinolin-2-amine

4-chloroquinolin-2-amine (PubChem CID 14067407) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloroquinolin-2-amine.

Molecular Properties

Compound Name4-chloroquinolin-2-amine
PubChem CID14067407
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name4-chloroquinolin-2-amine
SMILESNc1cc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H2,11,12)
InChIKeyWHFKEBBQPCDRND-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 4-chloroquinolin-2-amine?
The IUPAC name of 4-chloroquinolin-2-amine (CID 14067407) is 4-chloroquinolin-2-amine.
What is the SMILES notation for 4-chloroquinolin-2-amine?
The canonical SMILES for 4-chloroquinolin-2-amine is Nc1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloroquinolin-2-amine?
The InChIKey is WHFKEBBQPCDRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,(H2,11,12).
What are the key properties of 4-chloroquinolin-2-amine?
4-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 4-chloroquinolin-2-amine is sourced from PubChem (CID 14067407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).