6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid

C12H10ClNO4 — CID 82247120

IUPAC6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H10ClNO4/c13-7-1-2-9-8(5-7)11(16)6-10(12(17)18)14(9)3-4-15/h1-2,5-6,15H,3-4H2,(H,17,18)
InChIKeyXEUHOYJZMQSCJX-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.35
Rot. Bonds3

About 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid

6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid (PubChem CID 82247120) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
PubChem CID82247120
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H10ClNO4/c13-7-1-2-9-8(5-7)11(16)6-10(12(17)18)14(9)3-4-15/h1-2,5-6,15H,3-4H2,(H,17,18)
InChIKeyXEUHOYJZMQSCJX-UHFFFAOYSA-N
XLogP1.35
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
methyl 6-chloro-1-(3-methoxypropyl)-4-oxoquinoline-2-carboxylate
CID 75524036
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
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
1-but-2-enyl-7-hydroxy-4,6-dioxocyclohepta[b]pyridine-2-carboxylic acid
CID 54305295
1-[(4-chlorophenyl)methyl]-2-methyl-4-oxoquinoline-6-carboxylic acid
CID 126478672
1-(2-hydroxyethyl)-5-nitroindole-2-carboxylic acid
CID 70281391
7-chloro-4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 19827793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid (CID 82247120) is 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cc(Cl)ccc2n1CCO.
What is the InChIKey of 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The InChIKey is XEUHOYJZMQSCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c13-7-1-2-9-8(5-7)11(16)6-10(12(17)18)14(9)3-4-15/h1-2,5-6,15H,3-4H2,(H,17,18).
What are the key properties of 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82247120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).