7-chloroquinoline

C9H6ClN — CID 521963

IUPAC7-chloroquinoline
SMILESClc1ccc2cccnc2c1
InChIInChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKeyQNGUPQRODVPRDC-UHFFFAOYSA-N
MW163.61 g/mol
LogP2.89
Rot. Bonds

About 7-chloroquinoline

7-chloroquinoline (PubChem CID 521963) has the molecular formula C9H6ClN and a molecular weight of 163.61 g/mol. Its IUPAC name is 7-chloroquinoline.

Molecular Properties

Compound Name7-chloroquinoline
PubChem CID521963
Molecular FormulaC9H6ClN
Molecular Weight163.61 g/mol
Exact Mass163.02
IUPAC Name7-chloroquinoline
SMILESClc1ccc2cccnc2c1
InChIInChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
InChIKeyQNGUPQRODVPRDC-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloroquinoline?
The IUPAC name of 7-chloroquinoline (CID 521963) is 7-chloroquinoline.
What is the SMILES notation for 7-chloroquinoline?
The canonical SMILES for 7-chloroquinoline is Clc1ccc2cccnc2c1.
What is the InChIKey of 7-chloroquinoline?
The InChIKey is QNGUPQRODVPRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H.
What are the key properties of 7-chloroquinoline?
7-chloroquinoline has a molecular weight of 163.61 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloroquinoline is sourced from PubChem (CID 521963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).