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

C14H15NO5 — CID 18847882

IUPAC6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OCC
InChIInChI=1S/C14H15NO5/c1-3-19-11-6-8-5-9(14(17)18)13(16)15-10(8)7-12(11)20-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFOFMVGTZLIKBCD-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.02
Rot. Bonds5

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

6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 18847882) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID18847882
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OCC
InChIInChI=1S/C14H15NO5/c1-3-19-11-6-8-5-9(14(17)18)13(16)15-10(8)7-12(11)20-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFOFMVGTZLIKBCD-UHFFFAOYSA-N
XLogP2.02
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
3-[7-methoxy-6-(2-methoxyethoxy)-2-oxo-1H-quinoline-3-carbonyl]benzoic acid
CID 70580649
2-oxo-7-pentan-3-yl-1H-quinoline-3-carboxylic acid
CID 176988746
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
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
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
6-(4-ethoxyphenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82124021
2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
CID 135443739
3,5-diamino-2-ethoxybenzoic acid
CID 69167951
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 18847882) is 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid is CCOc1cc2cc(C(=O)O)c(=O)[nH]c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FOFMVGTZLIKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-3-19-11-6-8-5-9(14(17)18)13(16)15-10(8)7-12(11)20-4-2/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid?
6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 18847882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).