[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

C26H21FN2O4S — CID 27316155

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1
InChIInChI=1S/C26H21FN2O4S/c1-16(30)28-13-12-19-10-11-25(34-19)24(31)15-33-26(32)21-14-23(17-6-8-18(27)9-7-17)29-22-5-3-2-4-20(21)22/h2-11,14H,12-13,15H2,1H3,(H,28,30)
InChIKeyGFJPVFHFAZFGHP-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.82
Rot. Bonds8

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 27316155) has the molecular formula C26H21FN2O4S and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID27316155
Molecular FormulaC26H21FN2O4S
Molecular Weight476.53 g/mol
Exact Mass476.12
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1
InChIInChI=1S/C26H21FN2O4S/c1-16(30)28-13-12-19-10-11-25(34-19)24(31)15-33-26(32)21-14-23(17-6-8-18(27)9-7-17)29-22-5-3-2-4-20(21)22/h2-11,14H,12-13,15H2,1H3,(H,28,30)
InChIKeyGFJPVFHFAZFGHP-UHFFFAOYSA-N
XLogP4.82
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46645492
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 23771017
4-O-[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 27352967
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 29405110
(2-oxo-2-thiophen-2-ylethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2568832
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 23940568
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780535

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 27316155) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is GFJPVFHFAZFGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O4S/c1-16(30)28-13-12-19-10-11-25(34-19)24(31)15-33-26(32)21-14-23(17-6-8-18(27)9-7-17)29-22-5-3-2-4-20(21)22/h2-11,14H,12-13,15H2,1H3,(H,28,30).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 27316155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).