N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H21N3OS — CID 42749430

IUPACN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3OS/c24-20(21-9-12-23-10-3-4-11-23)16-14-18(19-8-5-13-25-19)22-17-7-2-1-6-15(16)17/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,24)
InChIKeyBCKNYTGGSUKOGK-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.79
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 42749430) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID42749430
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H21N3OS/c24-20(21-9-12-23-10-3-4-11-23)16-14-18(19-8-5-13-25-19)22-17-7-2-1-6-15(16)17/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,24)
InChIKeyBCKNYTGGSUKOGK-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrrolidin-1-ylethyl)-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-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 42749430) is N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is BCKNYTGGSUKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(21-9-12-23-10-3-4-11-23)16-14-18(19-8-5-13-25-19)22-17-7-2-1-6-15(16)17/h1-2,5-8,13-14H,3-4,9-12H2,(H,21,24).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).