N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide

C18H24N2O2S — CID 66794253

IUPACN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C18H24N2O2S/c21-17(13-15-7-4-12-23-15)19-10-9-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h4,7-8,12,14H,1-3,5-6,9-11,13H2,(H,19,21)
InChIKeyQZNQFFBSJFGKRE-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.10
Rot. Bonds5

About N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide

N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide (PubChem CID 66794253) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
PubChem CID66794253
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C18H24N2O2S/c21-17(13-15-7-4-12-23-15)19-10-9-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h4,7-8,12,14H,1-3,5-6,9-11,13H2,(H,19,21)
InChIKeyQZNQFFBSJFGKRE-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide with MolForge

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Related Compounds

1-[4-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-4-oxobutyl]-3-(4-thiophen-2-yloxan-4-yl)urea
CID 66794709
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(2-cyclopentylsulfanylethyl)-2-thiophen-2-ylacetamide
CID 94101567
N-(1-adamantyl)-6-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-6-oxohexanamide
CID 123493465
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 66794544
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[3-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123719557
N-[2-(3-oxomorpholin-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110722581
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 39086648
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide (CID 66794253) is N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide?
The InChIKey is QZNQFFBSJFGKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-17(13-15-7-4-12-23-15)19-10-9-18(22)20-11-3-6-14-5-1-2-8-16(14)20/h4,7-8,12,14H,1-3,5-6,9-11,13H2,(H,19,21).
What are the key properties of N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide?
N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide has a molecular weight of 332.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-3-oxopropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 66794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).