8-chloroquinoline-3-carboxylic acid

C10H6ClNO2 — CID 17039602

IUPAC8-chloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
InChIKeyMKRMBCSRPJLONM-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.59
Rot. Bonds1

About 8-chloroquinoline-3-carboxylic acid

8-chloroquinoline-3-carboxylic acid (PubChem CID 17039602) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 8-chloroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloroquinoline-3-carboxylic acid
PubChem CID17039602
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name8-chloroquinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C10H6ClNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
InChIKeyMKRMBCSRPJLONM-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloroquinoline-3-carboxylic acid?
The IUPAC name of 8-chloroquinoline-3-carboxylic acid (CID 17039602) is 8-chloroquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloroquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloroquinoline-3-carboxylic acid is O=C(O)c1cnc2c(Cl)cccc2c1.
What is the InChIKey of 8-chloroquinoline-3-carboxylic acid?
The InChIKey is MKRMBCSRPJLONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14).
What are the key properties of 8-chloroquinoline-3-carboxylic acid?
8-chloroquinoline-3-carboxylic acid has a molecular weight of 207.62 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroquinoline-3-carboxylic acid is sourced from PubChem (CID 17039602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).