5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid

C12H11NO3 — CID 62038616

IUPAC5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(=O)[nH]c12
InChIInChI=1S/C12H11NO3/c1-6-3-4-7(2)11-10(6)8(12(15)16)5-9(14)13-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyAHTVMEJJEUDYGU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.84
Rot. Bonds1

About 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid

5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid (PubChem CID 62038616) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
PubChem CID62038616
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
SMILESCc1ccc(C)c2c(C(=O)O)cc(=O)[nH]c12
InChIInChI=1S/C12H11NO3/c1-6-3-4-7(2)11-10(6)8(12(15)16)5-9(14)13-11/h3-5H,1-2H3,(H,13,14)(H,15,16)
InChIKeyAHTVMEJJEUDYGU-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

6-bromo-5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 82184250
3-fluoro-2-methyl-6-oxo-1H-pyridine-4-carboxylic acid
CID 82412213
5-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222685
8-chloro-4-hydroxy-5-methyl-1H-quinolin-2-one
CID 164656985
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543
3-acetyl-4,7-dimethyl-1H-indole-2-carboxylic acid
CID 84626563
4,7-dimethyl-3-propan-2-yl-1H-indole-2-carboxylic acid
CID 84626604
CID 162313209
CID 162313209
N-ethyl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016604
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
5,8-dimethyl-4-oxo-1H-cinnoline-3-carboxylic acid
CID 84819582
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid?
The IUPAC name of 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid (CID 62038616) is 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid.
What is the SMILES notation for 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid?
The canonical SMILES for 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid is Cc1ccc(C)c2c(C(=O)O)cc(=O)[nH]c12.
What is the InChIKey of 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid?
The InChIKey is AHTVMEJJEUDYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-6-3-4-7(2)11-10(6)8(12(15)16)5-9(14)13-11/h3-5H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid?
5,8-dimethyl-2-oxo-1H-quinoline-4-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 5,8-dimethyl-2-oxo-1H-quinoline-4-carboxylic acid is sourced from PubChem (CID 62038616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).