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

C12H11NO4 — CID 82243055

IUPAC1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2n1CCO
InChIInChI=1S/C12H11NO4/c14-6-5-13-9-4-2-1-3-8(9)11(15)7-10(13)12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeySGEMZJZBHSMANM-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.69
Rot. Bonds3

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

1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid (PubChem CID 82243055) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
PubChem CID82243055
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2ccccc2n1CCO
InChIInChI=1S/C12H11NO4/c14-6-5-13-9-4-2-1-3-8(9)11(15)7-10(13)12(16)17/h1-4,7,14H,5-6H2,(H,16,17)
InChIKeySGEMZJZBHSMANM-UHFFFAOYSA-N
XLogP0.69
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
CID 82244447
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
4-hydroxy-1-(2-hydroxyethyl)quinolin-2-one
CID 54738067
ethyl 1-ethyl-4-oxoquinoline-2-carboxylate
CID 13223148
1-(3-fluoropropyl)indole-2-carboxylic acid
CID 81113982
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249185
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
1-(2,3-dihydroxypropyl)-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82249184
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
CID 23614321

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid (CID 82243055) is 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2ccccc2n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
The InChIKey is SGEMZJZBHSMANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-6-5-13-9-4-2-1-3-8(9)11(15)7-10(13)12(16)17/h1-4,7,14H,5-6H2,(H,16,17).
What are the key properties of 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid?
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82243055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).