5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid

C13H12ClNO5 — CID 82251962

IUPAC5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc(Cl)c2c(=O)cc(C(=O)O)n(CCO)c12
InChIInChI=1S/C13H12ClNO5/c1-20-10-3-2-7(14)11-9(17)6-8(13(18)19)15(4-5-16)12(10)11/h2-3,6,16H,4-5H2,1H3,(H,18,19)
InChIKeyLFOAJIYPWIWHDR-UHFFFAOYSA-N
MW297.69 g/mol
LogP1.35
Rot. Bonds4

About 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid

5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid (PubChem CID 82251962) has the molecular formula C13H12ClNO5 and a molecular weight of 297.69 g/mol. Its IUPAC name is 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
PubChem CID82251962
Molecular FormulaC13H12ClNO5
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc(Cl)c2c(=O)cc(C(=O)O)n(CCO)c12
InChIInChI=1S/C13H12ClNO5/c1-20-10-3-2-7(14)11-9(17)6-8(13(18)19)15(4-5-16)12(10)11/h2-3,6,16H,4-5H2,1H3,(H,18,19)
InChIKeyLFOAJIYPWIWHDR-UHFFFAOYSA-N
XLogP1.35
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
CID 54772922
4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
CID 11196672
methyl 5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxylate
CID 142737203
2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
CID 67539220
4-chloro-7-methoxy-1-methyl-3-propan-2-ylindole-2-carboxylic acid
CID 84642947
1-(2-hydroxyethyl)-4-oxoquinoline-2-carboxylic acid
CID 82243055
methyl 2-(5-chloro-8-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 39234890
N-benzyl-5,8-dimethoxy-1-methyl-4-oxoquinoline-2-carboxamide
CID 142737210
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250962
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid (CID 82251962) is 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid is COc1ccc(Cl)c2c(=O)cc(C(=O)O)n(CCO)c12.
What is the InChIKey of 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid?
The InChIKey is LFOAJIYPWIWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO5/c1-20-10-3-2-7(14)11-9(17)6-8(13(18)19)15(4-5-16)12(10)11/h2-3,6,16H,4-5H2,1H3,(H,18,19).
What are the key properties of 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid?
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid has a molecular weight of 297.69 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82251962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).