6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid

C11H9NO3 — CID 71650456

IUPAC6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid
SMILESCC1=CC2C(=O)C(C(=O)O)=CN=C2C=C1
InChIInChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5,7H,1H3,(H,14,15)
InChIKeyFBRJRKKJENQESE-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.11
Rot. Bonds1

About 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid

6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid (PubChem CID 71650456) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid
PubChem CID71650456
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid
SMILESCC1=CC2C(=O)C(C(=O)O)=CN=C2C=C1
InChIInChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5,7H,1H3,(H,14,15)
InChIKeyFBRJRKKJENQESE-UHFFFAOYSA-N
XLogP1.11
TPSA66.73 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid (CID 71650456) is 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid is CC1=CC2C(=O)C(C(=O)O)=CN=C2C=C1.
What is the InChIKey of 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid?
The InChIKey is FBRJRKKJENQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5,7H,1H3,(H,14,15).
What are the key properties of 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid?
6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-4aH-quinoline-3-carboxylic acid is sourced from PubChem (CID 71650456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).