6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C23H29ClN4O3S — CID 162653295

IUPAC6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O3S/c1-18(29)26-11-13-27(14-12-26)22-8-9-23-20(16-22)6-4-10-28(23)32(30,31)25(2)17-19-5-3-7-21(24)15-19/h3,5,7-9,15-16H,4,6,10-14,17H2,1-2H3
InChIKeyABZRNKIAVZTUKC-UHFFFAOYSA-N
MW477.03 g/mol
LogP3.14
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide

6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 162653295) has the molecular formula C23H29ClN4O3S and a molecular weight of 477.03 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID162653295
Molecular FormulaC23H29ClN4O3S
Molecular Weight477.03 g/mol
Exact Mass476.16
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O3S/c1-18(29)26-11-13-27(14-12-26)22-8-9-23-20(16-22)6-4-10-28(23)32(30,31)25(2)17-19-5-3-7-21(24)15-19/h3,5,7-9,15-16H,4,6,10-14,17H2,1-2H3
InChIKeyABZRNKIAVZTUKC-UHFFFAOYSA-N
XLogP3.14
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.03
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-[(4-cyanophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 162653370
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
6-(4-acetylpiperazin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 164624817
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-chlorobenzenesulfonamide
CID 110369727
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 108503569
N-benzyl-N-methyl-2,3-dihydroindole-1-sulfonamide
CID 110865657
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
(3-chlorophenyl)methyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531667

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 162653295) is 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CC(=O)N1CCN(c2ccc3c(c2)CCCN3S(=O)(=O)N(C)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is ABZRNKIAVZTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O3S/c1-18(29)26-11-13-27(14-12-26)22-8-9-23-20(16-22)6-4-10-28(23)32(30,31)25(2)17-19-5-3-7-21(24)15-19/h3,5,7-9,15-16H,4,6,10-14,17H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 477.03 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 162653295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).