N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H13BrN2OS — CID 1216528

IUPACN-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H13BrN2OS/c21-13-7-9-14(10-8-13)22-20(24)16-12-18(19-6-3-11-25-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)
InChIKeyDGRPCUIMPDWNJE-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.98
Rot. Bonds3

About N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1216528) has the molecular formula C20H13BrN2OS and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1216528
Molecular FormulaC20H13BrN2OS
Molecular Weight409.31 g/mol
Exact Mass407.99
IUPAC NameN-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H13BrN2OS/c21-13-7-9-14(10-8-13)22-20(24)16-12-18(19-6-3-11-25-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)
InChIKeyDGRPCUIMPDWNJE-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 1216528) is N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DGRPCUIMPDWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2OS/c21-13-7-9-14(10-8-13)22-20(24)16-12-18(19-6-3-11-25-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24).
What are the key properties of N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 409.31 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1216528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).