(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

C24H26N4O3S — CID 5309053

IUPAC(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-24(27-17-15-26(16-18-27)20-9-2-1-3-10-20)21-11-6-14-28(21)32(30,31)22-12-4-7-19-8-5-13-25-23(19)22/h1-5,7-10,12-13,21H,6,11,14-18H2
InChIKeyCSVBJHCLWZVUAR-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.74
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 5309053) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
PubChem CID5309053
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3S/c29-24(27-17-15-26(16-18-27)20-9-2-1-3-10-20)21-11-6-14-28(21)32(30,31)22-12-4-7-19-8-5-13-25-23(19)22/h1-5,7-10,12-13,21H,6,11,14-18H2
InChIKeyCSVBJHCLWZVUAR-UHFFFAOYSA-N
XLogP2.74
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2S)-1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201482
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
[4-(4-chlorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 5308706
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid
CID 68886387
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 68885848
3-(4-benzylpiperidine-1-carbonyl)-N-(4-methylphenyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxamide
CID 134085056
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 123756072
(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
8-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylquinoline
CID 2738249
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (CID 5309053) is (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is CSVBJHCLWZVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c29-24(27-17-15-26(16-18-27)20-9-2-1-3-10-20)21-11-6-14-28(21)32(30,31)22-12-4-7-19-8-5-13-25-23(19)22/h1-5,7-10,12-13,21H,6,11,14-18H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 450.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 5309053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).