6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C22H25N3OS — CID 42659166

IUPAC6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NCCN3CCCCC3)c2c1
InChIInChI=1S/C22H25N3OS/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-27-21)22(26)23-9-12-25-10-3-2-4-11-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyKFTKRMZPNDUXLC-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.49
Rot. Bonds5

About 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 42659166) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID42659166
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3cccs3)cc(C(=O)NCCN3CCCCC3)c2c1
InChIInChI=1S/C22H25N3OS/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-27-21)22(26)23-9-12-25-10-3-2-4-11-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyKFTKRMZPNDUXLC-UHFFFAOYSA-N
XLogP4.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749525

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 42659166) is 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3cccs3)cc(C(=O)NCCN3CCCCC3)c2c1.
What is the InChIKey of 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is KFTKRMZPNDUXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-27-21)22(26)23-9-12-25-10-3-2-4-11-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,26).
What are the key properties of 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42659166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).