7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid

C13H12ClNO5 — CID 82251960

IUPAC7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccc(Cl)cc2n1CC(O)CO
InChIInChI=1S/C13H12ClNO5/c14-7-1-2-9-10(3-7)15(5-8(17)6-16)11(13(19)20)4-12(9)18/h1-4,8,16-17H,5-6H2,(H,19,20)
InChIKeyYCEAFOJUQWPBAC-UHFFFAOYSA-N
MW297.69 g/mol
LogP0.71
Rot. Bonds4

About 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid

7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid (PubChem CID 82251960) has the molecular formula C13H12ClNO5 and a molecular weight of 297.69 g/mol. Its IUPAC name is 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
PubChem CID82251960
Molecular FormulaC13H12ClNO5
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccc(Cl)cc2n1CC(O)CO
InChIInChI=1S/C13H12ClNO5/c14-7-1-2-9-10(3-7)15(5-8(17)6-16)11(13(19)20)4-12(9)18/h1-4,8,16-17H,5-6H2,(H,19,20)
InChIKeyYCEAFOJUQWPBAC-UHFFFAOYSA-N
XLogP0.71
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
1-(2,3-dihydroxypropyl)-6-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251138
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
7-chloro-1-[3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-hydroxypropyl]quinolin-4-one
CID 139684150
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82248606
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid (CID 82251960) is 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2ccc(Cl)cc2n1CC(O)CO.
What is the InChIKey of 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid?
The InChIKey is YCEAFOJUQWPBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO5/c14-7-1-2-9-10(3-7)15(5-8(17)6-16)11(13(19)20)4-12(9)18/h1-4,8,16-17H,5-6H2,(H,19,20).
What are the key properties of 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid?
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid has a molecular weight of 297.69 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82251960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).