1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid

C13H13NO3 — CID 82184260

IUPAC1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)cc(=O)n(C)c2cc1C
InChIInChI=1S/C13H13NO3/c1-7-4-9-10(13(16)17)6-12(15)14(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,17)
InChIKeyCDMKKTJQJXIGLI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.85
Rot. Bonds1

About 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid

1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid (PubChem CID 82184260) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid
PubChem CID82184260
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid
SMILESCc1cc2c(C(=O)O)cc(=O)n(C)c2cc1C
InChIInChI=1S/C13H13NO3/c1-7-4-9-10(13(16)17)6-12(15)14(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,17)
InChIKeyCDMKKTJQJXIGLI-UHFFFAOYSA-N
XLogP1.85
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
6-bromo-8-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184295
8-bromo-6-ethyl-1-methyl-2-oxoquinoline-4-carboxylic acid
CID 82184298
1,3,5,6-tetramethylbenzimidazol-2-one
CID 23560568
1-chloro-6-methylindole-5-carboxylic acid
CID 174845917
6-fluoro-1-hydroxy-2-oxoquinoline-4-carboxylic acid
CID 70686270
2,4-dimethyl-3-[(4,6,7-trimethyl-3-oxoquinoxaline-2-carbonyl)amino]benzoic acid
CID 176885160
1,2-dimethyl-5-(2,3,4-trimethylphenyl)pyrrole-3-carboxylic acid
CID 116828679
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
1-(2-methylsulfanylethyl)-2-oxoquinoline-4-carboxylic acid
CID 113473792
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
1-methyl-2-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55754361

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid (CID 82184260) is 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid is Cc1cc2c(C(=O)O)cc(=O)n(C)c2cc1C.
What is the InChIKey of 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid?
The InChIKey is CDMKKTJQJXIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7-4-9-10(13(16)17)6-12(15)14(3)11(9)5-8(7)2/h4-6H,1-3H3,(H,16,17).
What are the key properties of 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid?
1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 82184260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).