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

C11H9NO3 — CID 71650455

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

About 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid

6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid (PubChem CID 71650455) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
PubChem CID71650455
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
SMILESCC1=CC2C(C(=O)O)=CC(=O)N=C2C=C1
InChIInChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-5,7H,1H3,(H,14,15)
InChIKeyXZMBAYFWXKZWRJ-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-oxo-6aH-phenanthridine-3-carboxylic acid
CID 118009871
7-fluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 75263405
6,7-difluoro-2-oxo-6H-quinoline-4-carboxylic acid
CID 75998293
6,7-difluoro-2-oxo-4aH-quinoline-4-carboxylic acid
CID 133652374
2-Oxo-2H-indole-4-carboxylic acid
CID 53423770
2-Oxo-5-propan-2-ylbenzimidazole-4-carboxylic acid
CID 66979052
2,3-Dioxoquinoxaline-5-carboxylic acid
CID 67799393
(E)-3-(2-oxo-8H-quinolin-3-yl)prop-2-enoic acid
CID 88210007
2,3-Dihydroquinoline-5-carboxylic acid
CID 150637150
4-Butanoylimino-3-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 175352820
7-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651028
8-bromo-2-oxo-4aH-quinoline-4-carboxylic acid
CID 71651035

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid (CID 71650455) is 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid is CC1=CC2C(C(=O)O)=CC(=O)N=C2C=C1.
What is the InChIKey of 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
The InChIKey is XZMBAYFWXKZWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-5,7H,1H3,(H,14,15).
What are the key properties of 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid?
6-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 6-methyl-2-oxo-4aH-quinoline-4-carboxylic acid is sourced from PubChem (CID 71650455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).