5-chloroquinolin-8-ol

C9H6ClNO — CID 2817

💊View drug profile → cloxiquine
IUPAC5-chloroquinolin-8-ol
SMILESOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKeyCTQMJYWDVABFRZ-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.59
Rot. Bonds

About 5-chloroquinolin-8-ol

5-chloroquinolin-8-ol (PubChem CID 2817) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-chloroquinolin-8-ol.

Molecular Properties

Compound Name5-chloroquinolin-8-ol
PubChem CID2817
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name5-chloroquinolin-8-ol
SMILESOc1ccc(Cl)c2cccnc12
InChIInChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKeyCTQMJYWDVABFRZ-UHFFFAOYSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloroquinolin-8-ol?
The IUPAC name of 5-chloroquinolin-8-ol (CID 2817) is 5-chloroquinolin-8-ol.
What is the SMILES notation for 5-chloroquinolin-8-ol?
The canonical SMILES for 5-chloroquinolin-8-ol is Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloroquinolin-8-ol?
The InChIKey is CTQMJYWDVABFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H.
What are the key properties of 5-chloroquinolin-8-ol?
5-chloroquinolin-8-ol has a molecular weight of 179.61 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloroquinolin-8-ol is sourced from PubChem (CID 2817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).