2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C21H15BrN2OS — CID 4182040

IUPAC2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C21H15BrN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25)
InChIKeyVYZLGTMQJGVUGL-UHFFFAOYSA-N
MW423.34 g/mol
LogP5.66
Rot. Bonds4

About 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 4182040) has the molecular formula C21H15BrN2OS and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID4182040
Molecular FormulaC21H15BrN2OS
Molecular Weight423.34 g/mol
Exact Mass422.01
IUPAC Name2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C21H15BrN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25)
InChIKeyVYZLGTMQJGVUGL-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-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

2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892
2-(4-bromophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]quinoline-4-carboxamide
CID 34038513
3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 9247862
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 4182040) is 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is VYZLGTMQJGVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25).
What are the key properties of 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 423.34 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4182040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).