2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid

C12H10ClNO3 — CID 82244994

IUPAC2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)cc(CC(=O)O)[nH]c12
InChIInChI=1S/C12H10ClNO3/c1-6-2-7(13)3-9-10(15)4-8(5-11(16)17)14-12(6)9/h2-4H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJRIHDFQWWFCEO-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.12
Rot. Bonds2

About 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid

2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid (PubChem CID 82244994) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid
PubChem CID82244994
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)cc(CC(=O)O)[nH]c12
InChIInChI=1S/C12H10ClNO3/c1-6-2-7(13)3-9-10(15)4-8(5-11(16)17)14-12(6)9/h2-4H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyCJRIHDFQWWFCEO-UHFFFAOYSA-N
XLogP2.12
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43668304
methyl 2-(6,8-dichloro-4-oxo-1H-quinolin-2-yl)acetate
CID 39234899
6-chloro-4-hydroxy-8-methyl-1H-quinolin-2-one
CID 54680219
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82250952
2-(5-formyl-4-methyl-1H-pyrrol-2-yl)acetic acid
CID 143553249
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
2-(4,6,8-trimethyl-2-oxo-1H-quinolin-3-yl)acetic acid
CID 84631831
2-[5-chloro-2-(difluoromethoxy)-3-methylphenyl]acetic acid
CID 171005263
2-(4-chloro-2-iodo-6-methylphenyl)acetic acid
CID 86229802
6-chloro-3,8-dimethyl-2-phenyl-1H-quinolin-4-one
CID 104845926
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid?
The IUPAC name of 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid (CID 82244994) is 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid is Cc1cc(Cl)cc2c(=O)cc(CC(=O)O)[nH]c12.
What is the InChIKey of 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid?
The InChIKey is CJRIHDFQWWFCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-2-7(13)3-9-10(15)4-8(5-11(16)17)14-12(6)9/h2-4H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid?
2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid has a molecular weight of 251.67 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-8-methyl-4-oxo-1H-quinolin-2-yl)acetic acid is sourced from PubChem (CID 82244994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).