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

C11H10FNO3 — CID 114553193

IUPAC7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1c(F)ccc2c1NC(=O)C(C(=O)O)C2
InChIInChI=1S/C11H10FNO3/c1-5-8(12)3-2-6-4-7(11(15)16)10(14)13-9(5)6/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIPIGQYCEFJJJOU-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.33
Rot. Bonds1

About 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid

7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (PubChem CID 114553193) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
PubChem CID114553193
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
SMILESCc1c(F)ccc2c1NC(=O)C(C(=O)O)C2
InChIInChI=1S/C11H10FNO3/c1-5-8(12)3-2-6-4-7(11(15)16)10(14)13-9(5)6/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIPIGQYCEFJJJOU-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

8-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553186
7-fluoro-6-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553170
potassium;7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid;hydride
CID 173375657
7-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130058794
6-fluoro-7-methyl-3-nitroso-1,3-dihydroindol-2-one
CID 90827714
2-oxo-6-propyl-3,4-dihydro-1H-quinoline-3-carboxylic acid
CID 114553163
sodium 6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
CID 126796897
5-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
CID 82158455
2-(4,7-difluoro-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 83215953
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
1-(2,6-difluoro-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82818835
7-fluoro-8-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 82391673

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid (CID 114553193) is 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is Cc1c(F)ccc2c1NC(=O)C(C(=O)O)C2.
What is the InChIKey of 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
The InChIKey is IPIGQYCEFJJJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-5-8(12)3-2-6-4-7(11(15)16)10(14)13-9(5)6/h2-3,7H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid?
7-fluoro-8-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 7-fluoro-8-methyl-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 114553193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).