3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide

C24H28N4O4S — CID 20859043

IUPAC3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C
InChIInChI=1S/C24H28N4O4S/c1-25(2)33(31,32)19-9-10-22-20(15-19)23(29)21(17-26(22)3)24(30)28-13-11-27(12-14-28)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeySWKDYOJMPOAIOL-UHFFFAOYSA-N
MW468.58 g/mol
LogP1.75
Rot. Bonds5

About 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide

3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide (PubChem CID 20859043) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
PubChem CID20859043
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C
InChIInChI=1S/C24H28N4O4S/c1-25(2)33(31,32)19-9-10-22-20(15-19)23(29)21(17-26(22)3)24(30)28-13-11-27(12-14-28)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3
InChIKeySWKDYOJMPOAIOL-UHFFFAOYSA-N
XLogP1.75
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
CID 71701392
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30131757
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747
3-(4-benzylpiperazine-1-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
CID 26535171
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
N-benzyl-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859222
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-chloro-N,N-dimethylbenzenesulfonamide
CID 2427761
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
3-(2,3-dihydroindole-1-carbonyl)-1-ethyl-N,N-dimethyl-4-oxoquinoline-6-sulfonamide
CID 126457207
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
5-(diethylsulfamoyl)-1-methylindole-3-carboxylic acid
CID 663444

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide (CID 20859043) is 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide?
The InChIKey is SWKDYOJMPOAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-25(2)33(31,32)19-9-10-22-20(15-19)23(29)21(17-26(22)3)24(30)28-13-11-27(12-14-28)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3.
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide?
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 20859043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).