5,8-dimethoxyquinoline-2,4-dicarboxylic acid

C13H11NO6 — CID 11119371

IUPAC5,8-dimethoxyquinoline-2,4-dicarboxylic acid
SMILESCOc1ccc(OC)c2c(C(=O)O)cc(C(=O)O)nc12
InChIInChI=1S/C13H11NO6/c1-19-8-3-4-9(20-2)11-10(8)6(12(15)16)5-7(14-11)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYBVNHRPZQPNFMK-UHFFFAOYSA-N
MW277.23 g/mol
LogP1.65
Rot. Bonds4

About 5,8-dimethoxyquinoline-2,4-dicarboxylic acid

5,8-dimethoxyquinoline-2,4-dicarboxylic acid (PubChem CID 11119371) has the molecular formula C13H11NO6 and a molecular weight of 277.23 g/mol. Its IUPAC name is 5,8-dimethoxyquinoline-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5,8-dimethoxyquinoline-2,4-dicarboxylic acid
PubChem CID11119371
Molecular FormulaC13H11NO6
Molecular Weight277.23 g/mol
Exact Mass277.06
IUPAC Name5,8-dimethoxyquinoline-2,4-dicarboxylic acid
SMILESCOc1ccc(OC)c2c(C(=O)O)cc(C(=O)O)nc12
InChIInChI=1S/C13H11NO6/c1-19-8-3-4-9(20-2)11-10(8)6(12(15)16)5-7(14-11)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYBVNHRPZQPNFMK-UHFFFAOYSA-N
XLogP1.65
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
8-chloro-5-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84640245
8-fluoro-4-methoxy-5-methylquinoline-2-carboxylic acid
CID 102941896
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797
8-chloro-5-fluoro-4-methoxyquinoline-2-carboxylic acid
CID 107531464
6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
2-(2-methoxy-5-methylphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3333704
4-(2-hydroxyethoxy)-8-methoxyquinoline-2-carboxylic acid
CID 121004218

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxyquinoline-2,4-dicarboxylic acid?
The IUPAC name of 5,8-dimethoxyquinoline-2,4-dicarboxylic acid (CID 11119371) is 5,8-dimethoxyquinoline-2,4-dicarboxylic acid.
What is the SMILES notation for 5,8-dimethoxyquinoline-2,4-dicarboxylic acid?
The canonical SMILES for 5,8-dimethoxyquinoline-2,4-dicarboxylic acid is COc1ccc(OC)c2c(C(=O)O)cc(C(=O)O)nc12.
What is the InChIKey of 5,8-dimethoxyquinoline-2,4-dicarboxylic acid?
The InChIKey is YBVNHRPZQPNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO6/c1-19-8-3-4-9(20-2)11-10(8)6(12(15)16)5-7(14-11)13(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5,8-dimethoxyquinoline-2,4-dicarboxylic acid?
5,8-dimethoxyquinoline-2,4-dicarboxylic acid has a molecular weight of 277.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxyquinoline-2,4-dicarboxylic acid is sourced from PubChem (CID 11119371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).