4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

C16H22N4O3S — CID 11046339

IUPAC4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cccc2c(N3CCN(S(=O)(=O)N(C)C)CC3)ccnc12
InChIInChI=1S/C16H22N4O3S/c1-18(2)24(21,22)20-11-9-19(10-12-20)14-7-8-17-16-13(14)5-4-6-15(16)23-3/h4-8H,9-12H2,1-3H3
InChIKeyMLKMNJBJBXIILV-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.17
Rot. Bonds4

About 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide

4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 11046339) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID11046339
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1cccc2c(N3CCN(S(=O)(=O)N(C)C)CC3)ccnc12
InChIInChI=1S/C16H22N4O3S/c1-18(2)24(21,22)20-11-9-19(10-12-20)14-7-8-17-16-13(14)5-4-6-15(16)23-3/h4-8H,9-12H2,1-3H3
InChIKeyMLKMNJBJBXIILV-UHFFFAOYSA-N
XLogP1.17
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
CID 166561846
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
4-(2,3-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 742913
(2R)-4-(8-methoxyquinolin-4-yl)-2-[(2R)-oxolan-2-yl]morpholine
CID 129437284
2-[4-[8-[(4-methoxyphenyl)methoxy]quinolin-4-yl]piperazin-1-yl]acetaldehyde
CID 86664666
8-[(4-methoxyphenyl)methoxy]-4-piperazin-1-ylquinoline
CID 67504085
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 3717888
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
N,N-dimethyl-4-phthalazin-1-ylpiperazine-1-sulfonamide
CID 110715643

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide (CID 11046339) is 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is COc1cccc2c(N3CCN(S(=O)(=O)N(C)C)CC3)ccnc12.
What is the InChIKey of 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is MLKMNJBJBXIILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-18(2)24(21,22)20-11-9-19(10-12-20)14-7-8-17-16-13(14)5-4-6-15(16)23-3/h4-8H,9-12H2,1-3H3.
What are the key properties of 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinolin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 11046339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).