1-methyl-4-oxoquinoline-3-carboxylic acid

C11H9NO3 — CID 720017

IUPAC1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c1-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15)
InChIKeyWBHKMAPRABNYBR-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.24
Rot. Bonds1

About 1-methyl-4-oxoquinoline-3-carboxylic acid

1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 720017) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID720017
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccccc21
InChIInChI=1S/C11H9NO3/c1-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15)
InChIKeyWBHKMAPRABNYBR-UHFFFAOYSA-N
XLogP1.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxoquinoline-3-carboxylic acid (CID 720017) is 1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is WBHKMAPRABNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-12-6-8(11(14)15)10(13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H,14,15).
What are the key properties of 1-methyl-4-oxoquinoline-3-carboxylic acid?
1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 720017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).