4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide

C20H28N4O3S — CID 41469728

IUPAC4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C20H28N4O3S/c1-5-23(6-2)28(26,27)24-11-9-22(10-12-24)20(25)18-14-17-13-15(3)7-8-19(17)21-16(18)4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyXQPXZZUPNANNDK-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.20
Rot. Bonds5

About 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide

4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 41469728) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
PubChem CID41469728
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1
InChIInChI=1S/C20H28N4O3S/c1-5-23(6-2)28(26,27)24-11-9-22(10-12-24)20(25)18-14-17-13-15(3)7-8-19(17)21-16(18)4/h7-8,13-14H,5-6,9-12H2,1-4H3
InChIKeyXQPXZZUPNANNDK-UHFFFAOYSA-N
XLogP2.20
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 51283875
[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772160
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
4-(2,6-dichloropyridine-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 47078827
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51283891
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
N,N-diethyl-4-(quinoline-2-carbonyl)piperazine-1-sulfonamide
CID 17492386
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
(6-fluoro-2-methylquinolin-3-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46978929
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide (CID 41469728) is 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1.
What is the InChIKey of 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is XQPXZZUPNANNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-5-23(6-2)28(26,27)24-11-9-22(10-12-24)20(25)18-14-17-13-15(3)7-8-19(17)21-16(18)4/h7-8,13-14H,5-6,9-12H2,1-4H3.
What are the key properties of 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide?
4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylquinoline-3-carbonyl)-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 41469728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).