8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

C11H9NO4 — CID 22690286

IUPAC8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-3-6-5-7(11(14)15)10(13)12-9(6)8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyZOCSBJTWWJARJQ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.23
Rot. Bonds2

About 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22690286) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22690286
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1cccc2cc(C(=O)O)c(=O)[nH]c12
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-3-6-5-7(11(14)15)10(13)12-9(6)8/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyZOCSBJTWWJARJQ-UHFFFAOYSA-N
XLogP1.23
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
2-oxo-8-pentoxy-1H-quinoline-3-carboxylic acid
CID 141025690
8-bromo-7-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 165352016
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
7-methoxy-N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 110856846
2-amino-8-methoxyquinoline-3-carboxylic acid
CID 84622747
8-iodo-3-methoxy-1H-quinolin-2-one
CID 68636812
7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
ethane;7-methoxy-2-methyl-1H-indole
CID 143863749
3-methoxy-8-methyl-1H-quinolin-2-one
CID 151998755
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
CID 110848409

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 22690286) is 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is COc1cccc2cc(C(=O)O)c(=O)[nH]c12.
What is the InChIKey of 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is ZOCSBJTWWJARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-8-4-2-3-6-5-7(11(14)15)10(13)12-9(6)8/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22690286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).