2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide

C23H25N3OS — CID 134014842

IUPAC2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H25N3OS/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)18-14-20(16-9-10-16)25-19-7-2-1-6-17(18)19/h1-2,5-8,13-14,16,21H,3-4,9-12,15H2,(H,24,27)
InChIKeyFNMNAURZWZUBOJ-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.74
Rot. Bonds6

About 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide

2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide (PubChem CID 134014842) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
PubChem CID134014842
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H25N3OS/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)18-14-20(16-9-10-16)25-19-7-2-1-6-17(18)19/h1-2,5-8,13-14,16,21H,3-4,9-12,15H2,(H,24,27)
InChIKeyFNMNAURZWZUBOJ-UHFFFAOYSA-N
XLogP4.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)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-cyclopropyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 17430843
2-cyclopropyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoline-4-carboxamide
CID 55376459
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025285
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3H-phthalazine-1-carboxamide
CID 45352469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide (CID 134014842) is 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide is O=C(NCC(c1cccs1)N1CCCC1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide?
The InChIKey is FNMNAURZWZUBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-23(24-15-21(22-8-5-13-28-22)26-11-3-4-12-26)18-14-20(16-9-10-16)25-19-7-2-1-6-17(18)19/h1-2,5-8,13-14,16,21H,3-4,9-12,15H2,(H,24,27).
What are the key properties of 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide?
2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 134014842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).