8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid

C11H10FNO3 — CID 114553186

IUPAC8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cc(F)c2c(c1)CC(C(=O)O)C(=O)N2
InChIInChI=1S/C11H10FNO3/c1-5-2-6-4-7(11(15)16)10(14)13-9(6)8(12)3-5/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYGDOKZWWXBYLOB-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.33
Rot. Bonds1

About 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid

8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (PubChem CID 114553186) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
PubChem CID114553186
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1cc(F)c2c(c1)CC(C(=O)O)C(=O)N2
InChIInChI=1S/C11H10FNO3/c1-5-2-6-4-7(11(15)16)10(14)13-9(6)8(12)3-5/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyYGDOKZWWXBYLOB-UHFFFAOYSA-N
XLogP1.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-methyl-8-nitro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553168
7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553193
7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
6,8-dimethyl-2-oxo-3,4-dihydrochromene-3-carboxylic acid
CID 24972839
3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 105431846
(3S,4R)-3-amino-7,9-difluoro-4-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130340586
2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553163
potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
CID 173375657
6,8-dimethyl-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 82113959
3-(2-fluoro-4,6-dimethylphenyl)piperidine-2,6-dione
CID 170979047
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (CID 114553186) is 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is Cc1cc(F)c2c(c1)CC(C(=O)O)C(=O)N2.
What is the InChIKey of 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The InChIKey is YGDOKZWWXBYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-5-2-6-4-7(11(15)16)10(14)13-9(6)8(12)3-5/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).