2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid

C13H12ClNO4 — CID 84642929

IUPAC2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
SMILESCOc1cc2cc(CC(=O)O)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-15-10-6-9(14)11(19-2)4-7(10)3-8(13(15)18)5-12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyOMLCYCPONCXHHH-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.83
Rot. Bonds3

About 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid

2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid (PubChem CID 84642929) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
PubChem CID84642929
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid
SMILESCOc1cc2cc(CC(=O)O)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-15-10-6-9(14)11(19-2)4-7(10)3-8(13(15)18)5-12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyOMLCYCPONCXHHH-UHFFFAOYSA-N
XLogP1.83
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
CID 18802200
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
3-(5-chloro-6-methoxy-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
CID 118174712
N-[(6-chloro-5-methoxy-1-methylindol-2-yl)methyl]propan-2-amine
CID 84640295
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
2-(5-chloro-4-methoxy-2-methylphenyl)sulfanylacetic acid
CID 116853607
2-(6-chloro-5-methoxy-1-methylindol-2-yl)-N-methylethanamine
CID 84634763
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
6-chloro-5-methoxy-1-methyl-2-pyrrolidin-2-ylindole
CID 84639752

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid (CID 84642929) is 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid is COc1cc2cc(CC(=O)O)c(=O)n(C)c2cc1Cl.
What is the InChIKey of 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid?
The InChIKey is OMLCYCPONCXHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-15-10-6-9(14)11(19-2)4-7(10)3-8(13(15)18)5-12(16)17/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid?
2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid has a molecular weight of 281.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methoxy-1-methyl-2-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 84642929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).