8-chloroquinoline-7-carboxylic acid

C10H6ClNO2 — CID 70925417

IUPAC8-chloroquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cccnc2c1Cl
InChIInChI=1S/C10H6ClNO2/c11-8-7(10(13)14)4-3-6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
InChIKeyXJYQPWDNGCLCMV-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.59
Rot. Bonds1

About 8-chloroquinoline-7-carboxylic acid

8-chloroquinoline-7-carboxylic acid (PubChem CID 70925417) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 8-chloroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name8-chloroquinoline-7-carboxylic acid
PubChem CID70925417
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name8-chloroquinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2cccnc2c1Cl
InChIInChI=1S/C10H6ClNO2/c11-8-7(10(13)14)4-3-6-2-1-5-12-9(6)8/h1-5H,(H,13,14)
InChIKeyXJYQPWDNGCLCMV-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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Related Compounds

tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
quinoline-7,8-dicarboxylic acid
CID 19101920
palladium;quinoline-8-carboxylic acid
CID 174945118
dichlorocopper;hydrogen peroxide;1,10-phenanthroline
CID 158916437
tris(2-carboxyphenolate);lanthanum(3+);1,10-phenanthroline
CID 139240156
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
acetic acid;palladium;bis(1,10-phenanthroline)
CID 11261760
iron(2+);2,3,4,5,6-pentachlorophenol;1,10-phenanthroline
CID 158371036
7-fluoroquinoline-8-carboxylic acid
CID 71721093
5,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-3-carboxylic acid
CID 91511111
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120

Frequently Asked Questions

What is the IUPAC name of 8-chloroquinoline-7-carboxylic acid?
The IUPAC name of 8-chloroquinoline-7-carboxylic acid (CID 70925417) is 8-chloroquinoline-7-carboxylic acid.
What is the SMILES notation for 8-chloroquinoline-7-carboxylic acid?
The canonical SMILES for 8-chloroquinoline-7-carboxylic acid is O=C(O)c1ccc2cccnc2c1Cl.
What is the InChIKey of 8-chloroquinoline-7-carboxylic acid?
The InChIKey is XJYQPWDNGCLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-7(10(13)14)4-3-6-2-1-5-12-9(6)8/h1-5H,(H,13,14).
What are the key properties of 8-chloroquinoline-7-carboxylic acid?
8-chloroquinoline-7-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-7-carboxylic acid is sourced from PubChem (CID 70925417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).