1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one

C20H21ClN4O3S2 — CID 142647119

IUPAC1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
SMILESNc1ccnc2cc(CN3CCN(S(=O)(=O)CCc4ccc(Cl)s4)CC3=O)ccc12
InChIInChI=1S/C20H21ClN4O3S2/c21-19-4-2-15(29-19)6-10-30(27,28)25-9-8-24(20(26)13-25)12-14-1-3-16-17(22)5-7-23-18(16)11-14/h1-5,7,11H,6,8-10,12-13H2,(H2,22,23)
InChIKeyISFAPRCYQFFARF-UHFFFAOYSA-N
MW465.00 g/mol
LogP2.75
Rot. Bonds6

About 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one

1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one (PubChem CID 142647119) has the molecular formula C20H21ClN4O3S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
PubChem CID142647119
Molecular FormulaC20H21ClN4O3S2
Molecular Weight465.00 g/mol
Exact Mass464.07
IUPAC Name1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
SMILESNc1ccnc2cc(CN3CCN(S(=O)(=O)CCc4ccc(Cl)s4)CC3=O)ccc12
InChIInChI=1S/C20H21ClN4O3S2/c21-19-4-2-15(29-19)6-10-30(27,28)25-9-8-24(20(26)13-25)12-14-1-3-16-17(22)5-7-23-18(16)11-14/h1-5,7,11H,6,8-10,12-13H2,(H2,22,23)
InChIKeyISFAPRCYQFFARF-UHFFFAOYSA-N
XLogP2.75
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one with MolForge

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Related Compounds

1-[(4-aminothieno[3,2-d]pyrimidin-6-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
CID 142647089
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 11070206
(5-chlorothiophen-2-yl)methyl 4-[(4-aminoquinazolin-7-yl)methyl]-3-oxopiperazine-1-carboxylate
CID 54168402
(E)-N-[(3R)-1-[(4-aminoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]-2-(5-chlorothiophen-2-yl)ethenesulfonamide
CID 10412046
(3S)-1-[(4-aminoquinolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enoyl]-3-ethylpiperazin-2-one
CID 54489009
tert-butyl 2-[[4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-2-oxopiperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 11731240
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-2-one
CID 10027758
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(2-chloro-3H-thieno[2,3-b]pyridin-2-yl)sulfonyl]piperazin-2-one
CID 87893820
4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 142647111
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(4-chlorophenoxy)ethyl]piperazin-2-one
CID 54455575
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6,7-dichloro-1-benzothiophen-2-yl)methyl]piperazin-2-one
CID 54404892
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-3-ethylpiperazin-2-one
CID 69025389

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one?
The IUPAC name of 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one (CID 142647119) is 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one.
What is the SMILES notation for 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one?
The canonical SMILES for 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one is Nc1ccnc2cc(CN3CCN(S(=O)(=O)CCc4ccc(Cl)s4)CC3=O)ccc12.
What is the InChIKey of 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one?
The InChIKey is ISFAPRCYQFFARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S2/c21-19-4-2-15(29-19)6-10-30(27,28)25-9-8-24(20(26)13-25)12-14-1-3-16-17(22)5-7-23-18(16)11-14/h1-5,7,11H,6,8-10,12-13H2,(H2,22,23).
What are the key properties of 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one?
1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one has a molecular weight of 465.00 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one is sourced from PubChem (CID 142647119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).