ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate

C18H14FNO3 — CID 22425146

IUPACethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(20-15)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQCVYSWVGFDMXFU-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.51
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate

ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 22425146) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
PubChem CID22425146
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Nameethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)cc(=O)c2c1
InChIInChI=1S/C18H14FNO3/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(20-15)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3,(H,20,21)
InChIKeyQCVYSWVGFDMXFU-UHFFFAOYSA-N
XLogP3.51
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(benzoylamino)benzoate
CID 12914
6-Benzyl-3-ethoxycarbonyl-4-quinolone
CID 11529633
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate
CID 232605
propyl 6-benzyl-4-oxo-1H-quinoline-3-carboxylate
CID 11594914
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
diethyl 7-methyl-2-phenyl-4-[(E)-2-phenylethenyl]-1,4-dihydroquinoline-3,6-dicarboxylate
CID 44354206
ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 11521754
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
Methyl 4-[(3-oxo-3-phenyl-1-propen-1-yl)amino]benzoate
CID 2246962
2-Phenylethyl 4-acetamidobenzoate
CID 2449194
ethyl 9-oxo-6,7,8,10-tetrahydro-5H-acridine-2-carboxylate
CID 23931097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate (CID 22425146) is ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(-c3ccc(F)cc3)cc(=O)c2c1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is QCVYSWVGFDMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(20-15)11-3-6-13(19)7-4-11/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate?
ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 311.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 22425146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).