5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

C13H13NO6 — CID 22690296

IUPAC5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2[nH]c(=O)c(C(=O)O)cc2c(OC)c1OC
InChIInChI=1S/C13H13NO6/c1-18-9-5-8-6(10(19-2)11(9)20-3)4-7(13(16)17)12(15)14-8/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKeyFYAMNKPRFUIJGX-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.25
Rot. Bonds4

About 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid

5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22690296) has the molecular formula C13H13NO6 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22690296
Molecular FormulaC13H13NO6
Molecular Weight279.25 g/mol
Exact Mass279.07
IUPAC Name5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cc2[nH]c(=O)c(C(=O)O)cc2c(OC)c1OC
InChIInChI=1S/C13H13NO6/c1-18-9-5-8-6(10(19-2)11(9)20-3)4-7(13(16)17)12(15)14-8/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKeyFYAMNKPRFUIJGX-UHFFFAOYSA-N
XLogP1.25
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
3-[(4-ethylpiperazin-1-yl)methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 56716223
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 18847882
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553133
(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 42582251
3-[[4-(4-acetylpiperazin-1-yl)anilino]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 46950067
6,7,8-trimethoxy-9H-carbazole-2-carboxylic acid
CID 110181566
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
6,7-dimethoxy-1H-quinazoline-2,4-dione;hydrochloride
CID 139789848

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 22690296) is 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1cc2[nH]c(=O)c(C(=O)O)cc2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FYAMNKPRFUIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO6/c1-18-9-5-8-6(10(19-2)11(9)20-3)4-7(13(16)17)12(15)14-8/h4-5H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22690296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).