[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

C25H23N3O4S — CID 1261213

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c3ccccc3n2)o1
InChIInChI=1S/C25H23N3O4S/c1-18-11-12-24(32-18)23-17-21(20-9-5-6-10-22(20)26-23)25(29)27-13-15-28(16-14-27)33(30,31)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyOQOFRTKXGJABRC-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.95
Rot. Bonds4

About [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (PubChem CID 1261213) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
PubChem CID1261213
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c3ccccc3n2)o1
InChIInChI=1S/C25H23N3O4S/c1-18-11-12-24(32-18)23-17-21(20-9-5-6-10-22(20)26-23)25(29)27-13-15-28(16-14-27)33(30,31)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyOQOFRTKXGJABRC-UHFFFAOYSA-N
XLogP3.95
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 175931035
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222852
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891
2,3-dihydroindol-1-yl-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
CID 3372702
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone
CID 166185301
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
1-[3-[6-methyl-2-(5-methylfuran-2-yl)quinoline-4-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 175931011
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518964

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (CID 1261213) is [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c3ccccc3n2)o1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The InChIKey is OQOFRTKXGJABRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-18-11-12-24(32-18)23-17-21(20-9-5-6-10-22(20)26-23)25(29)27-13-15-28(16-14-27)33(30,31)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone has a molecular weight of 461.54 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 1261213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).