(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C24H20F3N3O2S — CID 15990488

IUPAC(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)sc3nc2c1
InChIInChI=1S/C24H20F3N3O2S/c1-32-19-6-5-15-11-16-12-21(33-22(16)28-20(15)14-19)23(31)30-9-7-29(8-10-30)18-4-2-3-17(13-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3
InChIKeyWIKZWGFZAMEDGH-UHFFFAOYSA-N
MW471.50 g/mol
LogP5.44
Rot. Bonds3

About (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 15990488) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID15990488
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC Name(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)sc3nc2c1
InChIInChI=1S/C24H20F3N3O2S/c1-32-19-6-5-15-11-16-12-21(33-22(16)28-20(15)14-19)23(31)30-9-7-29(8-10-30)18-4-2-3-17(13-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3
InChIKeyWIKZWGFZAMEDGH-UHFFFAOYSA-N
XLogP5.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1011234
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxybenzoate
CID 55397563
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2008259
[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573949
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
(6-methoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 3298499
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42749997
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 46549668
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 5304428
(4,5-dibromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573712
(3-methoxyphenyl)-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 67310297

Frequently Asked Questions

What is the IUPAC name of (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 15990488) is (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1ccc2cc3cc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)sc3nc2c1.
What is the InChIKey of (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is WIKZWGFZAMEDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c1-32-19-6-5-15-11-16-12-21(33-22(16)28-20(15)14-19)23(31)30-9-7-29(8-10-30)18-4-2-3-17(13-18)24(25,26)27/h2-6,11-14H,7-10H2,1H3.
What are the key properties of (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 471.50 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxythieno[2,3-b]quinolin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 15990488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).