5-methyl-4-oxo-1H-quinoline-2-carboxylic acid

C11H9NO3 — CID 22017489

IUPAC5-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1cccc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C11H9NO3/c1-6-3-2-4-7-10(6)9(13)5-8(12-7)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyBBUTUPXHFJJRPY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.53
Rot. Bonds1

About 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid

5-methyl-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 22017489) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID22017489
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-methyl-4-oxo-1H-quinoline-2-carboxylic acid
SMILESCc1cccc2[nH]c(C(=O)O)cc(=O)c12
InChIInChI=1S/C11H9NO3/c1-6-3-2-4-7-10(6)9(13)5-8(12-7)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyBBUTUPXHFJJRPY-UHFFFAOYSA-N
XLogP1.53
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid (CID 22017489) is 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid is Cc1cccc2[nH]c(C(=O)O)cc(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is BBUTUPXHFJJRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-3-2-4-7-10(6)9(13)5-8(12-7)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid?
5-methyl-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 22017489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).