2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid

C13H13NO4 — CID 82244447

IUPAC2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c2ccccc2n1CCO
InChIInChI=1S/C13H13NO4/c15-6-5-14-9(8-13(17)18)7-12(16)10-3-1-2-4-11(10)14/h1-4,7,15H,5-6,8H2,(H,17,18)
InChIKeyFOXSNYHJHUIXPX-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.62
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid

2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid (PubChem CID 82244447) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
PubChem CID82244447
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid
SMILESO=C(O)Cc1cc(=O)c2ccccc2n1CCO
InChIInChI=1S/C13H13NO4/c15-6-5-14-9(8-13(17)18)7-12(16)10-3-1-2-4-11(10)14/h1-4,7,15H,5-6,8H2,(H,17,18)
InChIKeyFOXSNYHJHUIXPX-UHFFFAOYSA-N
XLogP0.62
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
2-[1-(2-hydroxyethyl)-7-methoxy-4-oxoquinolin-2-yl]acetic acid
CID 82248592
2-(1-butyl-6-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82248619
4-hydroxy-1-(2-hydroxyethyl)quinolin-2-one
CID 54738067
2-[1-(2,3-dihydroxypropyl)-6-fluoro-4-oxoquinolin-2-yl]acetic acid
CID 82251461
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
CID 23614321
2-ethyl-1-methylquinolin-4-one
CID 15733010
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
1-methyl-2-(2-phenylethyl)quinolin-4-one
CID 165177826
6-chloro-1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82247120
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-(2-oxo-4-phenylquinolin-1-yl)acetic acid
CID 13180338

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid (CID 82244447) is 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid is O=C(O)Cc1cc(=O)c2ccccc2n1CCO.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid?
The InChIKey is FOXSNYHJHUIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-6-5-14-9(8-13(17)18)7-12(16)10-3-1-2-4-11(10)14/h1-4,7,15H,5-6,8H2,(H,17,18).
What are the key properties of 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid?
2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-4-oxoquinolin-2-yl]acetic acid is sourced from PubChem (CID 82244447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).