5,8-dimethylquinoline-2,3-dicarboxylic acid

C13H11NO4 — CID 17039937

IUPAC5,8-dimethylquinoline-2,3-dicarboxylic acid
SMILESCc1ccc(C)c2nc(C(=O)O)c(C(=O)O)cc12
InChIInChI=1S/C13H11NO4/c1-6-3-4-7(2)10-8(6)5-9(12(15)16)11(14-10)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXCMFJIFTQBKSGC-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.25
Rot. Bonds2

About 5,8-dimethylquinoline-2,3-dicarboxylic acid

5,8-dimethylquinoline-2,3-dicarboxylic acid (PubChem CID 17039937) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5,8-dimethylquinoline-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5,8-dimethylquinoline-2,3-dicarboxylic acid
PubChem CID17039937
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5,8-dimethylquinoline-2,3-dicarboxylic acid
SMILESCc1ccc(C)c2nc(C(=O)O)c(C(=O)O)cc12
InChIInChI=1S/C13H11NO4/c1-6-3-4-7(2)10-8(6)5-9(12(15)16)11(14-10)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXCMFJIFTQBKSGC-UHFFFAOYSA-N
XLogP2.25
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2,3,5,6-tetracarboxylic acid
CID 2305107
1,5-dimethylacridine-4-carboxylic acid
CID 10634490
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
3,5-dimethylisoquinoline-1-carboxylic acid
CID 84670077
8-methylquinazoline-4-carboxylic acid
CID 124706584
CID 162313209
CID 162313209
2-(5,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84630830
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
6-chloro-2,4-dimethylquinoline-8-carboxylic acid
CID 82574745
5-[acetyl(methyl)amino]-6-methylpyridine-2,3-dicarboxylic acid
CID 19010310
2,9-dimethyl-1,10-phenanthroline-5-carboxylic acid
CID 619875

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylquinoline-2,3-dicarboxylic acid?
The IUPAC name of 5,8-dimethylquinoline-2,3-dicarboxylic acid (CID 17039937) is 5,8-dimethylquinoline-2,3-dicarboxylic acid.
What is the SMILES notation for 5,8-dimethylquinoline-2,3-dicarboxylic acid?
The canonical SMILES for 5,8-dimethylquinoline-2,3-dicarboxylic acid is Cc1ccc(C)c2nc(C(=O)O)c(C(=O)O)cc12.
What is the InChIKey of 5,8-dimethylquinoline-2,3-dicarboxylic acid?
The InChIKey is XCMFJIFTQBKSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-6-3-4-7(2)10-8(6)5-9(12(15)16)11(14-10)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5,8-dimethylquinoline-2,3-dicarboxylic acid?
5,8-dimethylquinoline-2,3-dicarboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylquinoline-2,3-dicarboxylic acid is sourced from PubChem (CID 17039937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).