3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C17H20N2OS — CID 162675053

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCc1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(18-13-15-7-4-12-21-15)9-11-19-10-3-6-14-5-1-2-8-16(14)19/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,18,20)
InChIKeyWELWVDXGWKTSSU-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.21
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 162675053) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID162675053
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCc2ccccc21)NCc1cccs1
InChIInChI=1S/C17H20N2OS/c20-17(18-13-15-7-4-12-21-15)9-11-19-10-3-6-14-5-1-2-8-16(14)19/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,18,20)
InChIKeyWELWVDXGWKTSSU-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62296
alpha-Methylthiofentanyl
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2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
6-[(Thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648056
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
Piperidine-1,3-dicarboxylic acid 1-phenylamide 3-[(thiophen-2-ylmethyl)-amide]
CID 3222834
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 724147
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
CID 1398111
N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1399377
[(1S,2R)-2-(aminomethyl)-1-thiophen-3-ylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24743354

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 162675053) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCN1CCCc2ccccc21)NCc1cccs1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is WELWVDXGWKTSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(18-13-15-7-4-12-21-15)9-11-19-10-3-6-14-5-1-2-8-16(14)19/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,18,20).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 162675053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).