N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide

C24H28N4O3S — CID 24584448

IUPACN,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-27(4-2)32(30,31)28-16-14-26(15-17-28)24(29)21-18-23(19-10-6-5-7-11-19)25-22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3
InChIKeyMLSKXTFEALNKOW-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.25
Rot. Bonds6

About N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide

N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide (PubChem CID 24584448) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
PubChem CID24584448
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28N4O3S/c1-3-27(4-2)32(30,31)28-16-14-26(15-17-28)24(29)21-18-23(19-10-6-5-7-11-19)25-22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3
InChIKeyMLSKXTFEALNKOW-UHFFFAOYSA-N
XLogP3.25
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 41469728
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 17430035

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide (CID 24584448) is N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide?
The InChIKey is MLSKXTFEALNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-3-27(4-2)32(30,31)28-16-14-26(15-17-28)24(29)21-18-23(19-10-6-5-7-11-19)25-22-13-9-8-12-20(21)22/h5-13,18H,3-4,14-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide?
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide has a molecular weight of 452.58 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide is sourced from PubChem (CID 24584448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).