1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

C22H26ClN3O4S — CID 46601713

IUPAC1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)CCC2
InChIInChI=1S/C22H26ClN3O4S/c1-30-19-9-4-6-17-7-5-11-25(22(17)19)16-21(27)24-12-14-26(15-13-24)31(28,29)20-10-3-2-8-18(20)23/h2-4,6,8-10H,5,7,11-16H2,1H3
InChIKeyQMHWQZQFCKHXSV-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 46601713) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID46601713
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCOc1cccc2c1N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)CCC2
InChIInChI=1S/C22H26ClN3O4S/c1-30-19-9-4-6-17-7-5-11-25(22(17)19)16-21(27)24-12-14-26(15-13-24)31(28,29)20-10-3-2-8-18(20)23/h2-4,6,8-10H,5,7,11-16H2,1H3
InChIKeyQMHWQZQFCKHXSV-UHFFFAOYSA-N
XLogP2.63
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-[4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24561374
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 47104113
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 9240158
1-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylethanone
CID 110818318
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
1-(2-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63214935
1-[4-(2-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797287
3-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 43012490
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 46601713) is 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is COc1cccc2c1N(CC(=O)N1CCN(S(=O)(=O)c3ccccc3Cl)CC1)CCC2.
What is the InChIKey of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is QMHWQZQFCKHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-30-19-9-4-6-17-7-5-11-25(22(17)19)16-21(27)24-12-14-26(15-13-24)31(28,29)20-10-3-2-8-18(20)23/h2-4,6,8-10H,5,7,11-16H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 463.99 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 46601713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).