5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid

C12H11NO3 — CID 114553133

IUPAC5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc2[nH]c(=O)c(C(=O)O)cc2c1C
InChIInChI=1S/C12H11NO3/c1-6-3-4-10-8(7(6)2)5-9(12(15)16)11(14)13-10/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyNTYHDKUKAIHLEO-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.84
Rot. Bonds1

About 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid

5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 114553133) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID114553133
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1ccc2[nH]c(=O)c(C(=O)O)cc2c1C
InChIInChI=1S/C12H11NO3/c1-6-3-4-10-8(7(6)2)5-9(12(15)16)11(14)13-10/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyNTYHDKUKAIHLEO-UHFFFAOYSA-N
XLogP1.84
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 133054559
4,5-dimethyl-1H-indol-2-ol
CID 57106525
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660
5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbonyl isothiocyanate;5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 91242313
1-methyl-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 105445676
3-amino-2-(4-methylbenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 756804
3,6,7-trimethyl-1H-indole-2-carboxylic acid
CID 21239696
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
7-chloro-8-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 6501545

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid (CID 114553133) is 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid is Cc1ccc2[nH]c(=O)c(C(=O)O)cc2c1C.
What is the InChIKey of 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NTYHDKUKAIHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-3-4-10-8(7(6)2)5-9(12(15)16)11(14)13-10/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).