N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide

C23H22N2O2S — CID 110303769

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-22(13-11-20-9-5-15-28-20)24-19-10-12-21-18(16-19)8-4-14-25(21)23(27)17-6-2-1-3-7-17/h1-3,5-7,9-10,12,15-16H,4,8,11,13-14H2,(H,24,26)
InChIKeyNTZNKFLPGUNTDQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.91
Rot. Bonds5

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide (PubChem CID 110303769) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
PubChem CID110303769
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-22(13-11-20-9-5-15-28-20)24-19-10-12-21-18(16-19)8-4-14-25(21)23(27)17-6-2-1-3-7-17/h1-3,5-7,9-10,12,15-16H,4,8,11,13-14H2,(H,24,26)
InChIKeyNTZNKFLPGUNTDQ-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide 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-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(2-phenylethyl)urea
CID 30374073
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
4-[[1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]amino]-4-oxobutanoate
CID 7279097
N-(1-acetyl-4-methyl-4-phenyl-2,3-dihydroquinolin-6-yl)-3-thiophen-2-ylpropanamide
CID 25207173
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide (CID 110303769) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is NTZNKFLPGUNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(13-11-20-9-5-15-28-20)24-19-10-12-21-18(16-19)8-4-14-25(21)23(27)17-6-2-1-3-7-17/h1-3,5-7,9-10,12,15-16H,4,8,11,13-14H2,(H,24,26).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 390.51 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110303769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).