[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

C26H20FNO3 — CID 3353845

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H20FNO3/c1-2-17-7-9-19(10-8-17)25(29)16-31-26(30)22-15-24(18-11-13-20(27)14-12-18)28-23-6-4-3-5-21(22)23/h3-15H,2,16H2,1H3
InChIKeyDZUSNUKBYCCMHS-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.64
Rot. Bonds6

About [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 3353845) has the molecular formula C26H20FNO3 and a molecular weight of 413.45 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID3353845
Molecular FormulaC26H20FNO3
Molecular Weight413.45 g/mol
Exact Mass413.14
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1
InChIInChI=1S/C26H20FNO3/c1-2-17-7-9-19(10-8-17)25(29)16-31-26(30)22-15-24(18-11-13-20(27)14-12-18)28-23-6-4-3-5-21(22)23/h3-15H,2,16H2,1H3
InChIKeyDZUSNUKBYCCMHS-UHFFFAOYSA-N
XLogP5.64
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126186966
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252
[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 4237914
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23882892
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 29405110
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 3353845) is [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is DZUSNUKBYCCMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO3/c1-2-17-7-9-19(10-8-17)25(29)16-31-26(30)22-15-24(18-11-13-20(27)14-12-18)28-23-6-4-3-5-21(22)23/h3-15H,2,16H2,1H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 413.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 3353845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).