N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

C22H17ClN2OS — CID 3439014

IUPACN-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26)
InChIKeyCAZAXMAOBLNNEU-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.59
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3439014) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3439014
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26)
InChIKeyCAZAXMAOBLNNEU-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chlorophenyl)ethyl]-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

N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4124660
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025285
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 120946099
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
N-(pyrrolidin-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide;dihydrochloride
CID 119509830

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 3439014) is N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is CAZAXMAOBLNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c23-16-6-3-5-15(13-16)10-11-24-22(26)18-14-20(21-9-4-12-27-21)25-19-8-2-1-7-17(18)19/h1-9,12-14H,10-11H2,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3439014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).