8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline

C23H25N3O2S — CID 90567332

IUPAC8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H25N3O2S/c27-29(28,22-10-4-8-19-9-5-13-24-23(19)22)26-15-14-25(20-11-12-20)17-21(26)16-18-6-2-1-3-7-18/h1-10,13,20-21H,11-12,14-17H2
InChIKeyMXECSOYWXUSRMD-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.31
Rot. Bonds5

About 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline

8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline (PubChem CID 90567332) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
PubChem CID90567332
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(C2CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H25N3O2S/c27-29(28,22-10-4-8-19-9-5-13-24-23(19)22)26-15-14-25(20-11-12-20)17-21(26)16-18-6-2-1-3-7-18/h1-10,13,20-21H,11-12,14-17H2
InChIKeyMXECSOYWXUSRMD-UHFFFAOYSA-N
XLogP3.31
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075
2-benzyl-4-cyclopropyl-1-(4-ethoxyphenyl)sulfonylpiperazine
CID 90567328
3-benzyl-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepin-4-ol
CID 78110887
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
(4R)-4-benzyl-2-methyl-5-quinolin-8-ylsulfonyl-4,6-dihydro-1H-2,5-benzodiazocin-3-one
CID 71269001
3-(4-benzylpiperidine-1-carbonyl)-N-(4-methylphenyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxamide
CID 134085056
3-(2-benzylpyrrolidin-1-yl)sulfonyl-2-ethoxypyridine
CID 166330625
(3R,4R)-3-benzyl-4-methoxy-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 71557114
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398

Frequently Asked Questions

What is the IUPAC name of 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline (CID 90567332) is 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(C2CC2)CC1Cc1ccccc1.
What is the InChIKey of 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is MXECSOYWXUSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-29(28,22-10-4-8-19-9-5-13-24-23(19)22)26-15-14-25(20-11-12-20)17-21(26)16-18-6-2-1-3-7-18/h1-10,13,20-21H,11-12,14-17H2.
What are the key properties of 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline?
8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 407.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-benzyl-4-cyclopropylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 90567332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).