2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C20H24ClN3OS — CID 30962950

IUPAC2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C20H24ClN3OS/c21-19-8-7-17(26-19)14-22-10-12-23(13-11-22)15-20(25)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8H,3,5,9-15H2
InChIKeyURGBDRAABYSEAY-UHFFFAOYSA-N
MW389.95 g/mol
LogP3.50
Rot. Bonds4

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 30962950) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID30962950
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C20H24ClN3OS/c21-19-8-7-17(26-19)14-22-10-12-23(13-11-22)15-20(25)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8H,3,5,9-15H2
InChIKeyURGBDRAABYSEAY-UHFFFAOYSA-N
XLogP3.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

2-[(5-chlorothiophen-2-yl)methylsulfonyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 51175293
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225
4-amino-1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 119883298
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 31345891
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1443725
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 30962950) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CN1CCN(Cc2ccc(Cl)s2)CC1)N1CCCc2ccccc21.
What is the InChIKey of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is URGBDRAABYSEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c21-19-8-7-17(26-19)14-22-10-12-23(13-11-22)15-20(25)24-9-3-5-16-4-1-2-6-18(16)24/h1-2,4,6-8H,3,5,9-15H2.
What are the key properties of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 389.95 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 30962950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).