8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid

C11H9NO3 — CID 74518925

IUPAC8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESCC1=CC=CC2C(C(=O)O)=CC(=O)N=C12
InChIInChI=1S/C11H9NO3/c1-6-3-2-4-7-8(11(14)15)5-9(13)12-10(6)7/h2-5,7H,1H3,(H,14,15)
InChIKeyKMWOHYFRXGIETM-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.11
Rot. Bonds1

About 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid

8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 74518925) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID74518925
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESCC1=CC=CC2C(C(=O)O)=CC(=O)N=C12
InChIInChI=1S/C11H9NO3/c1-6-3-2-4-7-8(11(14)15)5-9(13)12-10(6)7/h2-5,7H,1H3,(H,14,15)
InChIKeyKMWOHYFRXGIETM-UHFFFAOYSA-N
XLogP1.11
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

6-Methyl-2-(trifluoromethyl)-4,4a-dihydroquinoline-3-carboxylic acid
CID 156160053
7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
4-(2-oxo-6H-quinolin-3-yl)butanoic acid
CID 69457352
6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71650455
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028
8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651035
8-hydroxy-2-oxo-4aH-quinoline-4-carboxylic acid
CID 72725908
4-methyl-2-oxo-4aH-quinoline-7-carboxylic acid
CID 72730371
5-acetyl-8-hydroxy-4aH-quinolin-2-one
CID 73162598
2-oxo-4aH-quinoline-5-carboxylic acid
CID 73179433
2-oxo-5,6,7,8-tetrahydro-4aH-quinoline-4-carboxylic acid
CID 73190195

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid (CID 74518925) is 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid is CC1=CC=CC2C(C(=O)O)=CC(=O)N=C12.
What is the InChIKey of 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The InChIKey is KMWOHYFRXGIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-3-2-4-7-8(11(14)15)5-9(13)12-10(6)7/h2-5,7H,1H3,(H,14,15).
What are the key properties of 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 74518925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).