N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide

C24H29N3O4S2 — CID 70343236

IUPACN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccs2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C24H29N3O4S2/c1-17-8-11-27(12-9-17)33(29,30)18-6-7-21-19(15-18)20(24(28)25-10-4-13-31-2)16-22(26-21)23-5-3-14-32-23/h3,5-7,14-17H,4,8-13H2,1-2H3,(H,25,28)
InChIKeyOGJXPYXPWWIIEN-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.15
Rot. Bonds8

About N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide

N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 70343236) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID70343236
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccs2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C24H29N3O4S2/c1-17-8-11-27(12-9-17)33(29,30)18-6-7-21-19(15-18)20(24(28)25-10-4-13-31-2)16-22(26-21)23-5-3-14-32-23/h3,5-7,14-17H,4,8-13H2,1-2H3,(H,25,28)
InChIKeyOGJXPYXPWWIIEN-UHFFFAOYSA-N
XLogP4.15
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide 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

6-(4-methylpiperidin-1-yl)sulfonyl-N-(3-propan-2-yloxypropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968612
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
N-(3-butylsulfanylpropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 20968660
6-(butylsulfamoyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 98366221
N-(3-methylbutyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 20968613
N-[3-(3-methylpiperidin-1-yl)propyl]-6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53204657
[2-(3-methoxypropylamino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 8661698
6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 70343200
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 70343236) is N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2cccs2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12.
What is the InChIKey of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is OGJXPYXPWWIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-17-8-11-27(12-9-17)33(29,30)18-6-7-21-19(15-18)20(24(28)25-10-4-13-31-2)16-22(26-21)23-5-3-14-32-23/h3,5-7,14-17H,4,8-13H2,1-2H3,(H,25,28).
What are the key properties of N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(4-methylpiperidin-1-yl)sulfonyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 70343236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).