1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide

C25H30ClN3O6S — CID 46361849

IUPAC1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C25H30ClN3O6S/c1-16(30)29-10-4-5-18-13-20(6-7-22(18)29)36(32,33)28-11-8-17(9-12-28)25(31)27-24-21(26)14-19(34-2)15-23(24)35-3/h6-7,13-15,17H,4-5,8-12H2,1-3H3,(H,27,31)
InChIKeyXOIPYPNCRUCYTL-UHFFFAOYSA-N
MW536.05 g/mol
LogP3.70
Rot. Bonds6

About 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 46361849) has the molecular formula C25H30ClN3O6S and a molecular weight of 536.05 g/mol. Its IUPAC name is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID46361849
Molecular FormulaC25H30ClN3O6S
Molecular Weight536.05 g/mol
Exact Mass535.15
IUPAC Name1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C25H30ClN3O6S/c1-16(30)29-10-4-5-18-13-20(6-7-22(18)29)36(32,33)28-11-8-17(9-12-28)25(31)27-24-21(26)14-19(34-2)15-23(24)35-3/h6-7,13-15,17H,4-5,8-12H2,1-3H3,(H,27,31)
InChIKeyXOIPYPNCRUCYTL-UHFFFAOYSA-N
XLogP3.70
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.05
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 46361687
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 46361676
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 46361677
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 46361708
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 22583508
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 22583528
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-(2-chloro-4,6-dimethoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085613
1-[6-[4-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 121060712
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
N-(4-cyanophenyl)-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 46361802

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide (CID 46361849) is 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide is COc1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c(OC)c1.
What is the InChIKey of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is XOIPYPNCRUCYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O6S/c1-16(30)29-10-4-5-18-13-20(6-7-22(18)29)36(32,33)28-11-8-17(9-12-28)25(31)27-24-21(26)14-19(34-2)15-23(24)35-3/h6-7,13-15,17H,4-5,8-12H2,1-3H3,(H,27,31).
What are the key properties of 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide?
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 536.05 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(2-chloro-4,6-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46361849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).