1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid

C17H12FNO3 — CID 21219139

IUPAC1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid
SMILESO=C(O)C1C=Cc2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO3/c18-13-8-5-12(6-9-13)16(20)19-14-4-2-1-3-11(14)7-10-15(19)17(21)22/h1-10,15H,(H,21,22)
InChIKeyWTXNWDWJSFYLNG-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.95
Rot. Bonds2

About 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid

1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid (PubChem CID 21219139) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid
PubChem CID21219139
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid
SMILESO=C(O)C1C=Cc2ccccc2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO3/c18-13-8-5-12(6-9-13)16(20)19-14-4-2-1-3-11(14)7-10-15(19)17(21)22/h1-10,15H,(H,21,22)
InChIKeyWTXNWDWJSFYLNG-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406
(2S,4S)-4-(N-acetylanilino)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 21092994
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
benzo[b][1]benzazepin-11-yl(phenyl)methanone
CID 571066
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2H-quinoline-2-carbonitrile
CID 67833365
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
methyl 4-(1-benzoyl-2H-quinolin-2-yl)-2-diazo-3-oxobutanoate
CID 101445565
(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone
CID 14253325
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
2-(4-fluorobenzoyl)isoindole-1,3-dione
CID 3643646

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid (CID 21219139) is 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid is O=C(O)C1C=Cc2ccccc2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid?
The InChIKey is WTXNWDWJSFYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-13-8-5-12(6-9-13)16(20)19-14-4-2-1-3-11(14)7-10-15(19)17(21)22/h1-10,15H,(H,21,22).
What are the key properties of 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid?
1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-2H-quinoline-2-carboxylic acid is sourced from PubChem (CID 21219139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).