2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid

C12H10ClNO4 — CID 67539220

IUPAC2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
SMILESCOc1ccc(Cl)c2ccc(=O)n(CC(=O)O)c12
InChIInChI=1S/C12H10ClNO4/c1-18-9-4-3-8(13)7-2-5-10(15)14(12(7)9)6-11(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKeyZLUHRUMGJOWUFY-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.75
Rot. Bonds3

About 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid

2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid (PubChem CID 67539220) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
PubChem CID67539220
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid
SMILESCOc1ccc(Cl)c2ccc(=O)n(CC(=O)O)c12
InChIInChI=1S/C12H10ClNO4/c1-18-9-4-3-8(13)7-2-5-10(15)14(12(7)9)6-11(16)17/h2-5H,6H2,1H3,(H,16,17)
InChIKeyZLUHRUMGJOWUFY-UHFFFAOYSA-N
XLogP1.75
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409
2-(2-chloro-7-methoxybenzimidazol-1-yl)acetic acid
CID 84800608
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
CID 84693979
4,7-dimethoxy-1-(2-oxopropyl)indole-2-carboxylic acid
CID 11196672
3-(5-chloro-8-methoxy-4-oxoquinolin-1-yl)propanoic acid
CID 54772922
2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)acetic acid;2-(3-chloro-4-methoxy-6-methyl-9-oxoacridin-10-yl)-N-methoxyacetamide;O-methylhydroxylamine;hydrochloride
CID 159639466
2-(6-chloro-5-methoxy-2,3-dioxoindol-1-yl)acetic acid
CID 84641418
2-(4-amino-8-methoxypyrimido[4,5-b]indol-9-yl)acetic acid
CID 156877028
2-(2-bromo-5,6-dichloro-9-oxoacridin-10-yl)acetic acid
CID 138658101
N-(4-chlorophenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46302523

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid?
The IUPAC name of 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid (CID 67539220) is 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid is COc1ccc(Cl)c2ccc(=O)n(CC(=O)O)c12.
What is the InChIKey of 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid?
The InChIKey is ZLUHRUMGJOWUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-18-9-4-3-8(13)7-2-5-10(15)14(12(7)9)6-11(16)17/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid?
2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid has a molecular weight of 267.67 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-8-methoxy-2-oxoquinolin-1-yl)acetic acid is sourced from PubChem (CID 67539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).