1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one

C17H19NOS — CID 105114181

IUPAC1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)C1CCCc2cccnc21
InChIInChI=1S/C17H19NOS/c19-16(10-2-7-14-8-4-12-20-14)15-9-1-5-13-6-3-11-18-17(13)15/h3-4,6,8,11-12,15H,1-2,5,7,9-10H2
InChIKeyNYZUJOQCTQRBEF-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.16
Rot. Bonds5

About 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one

1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105114181) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID105114181
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)C1CCCc2cccnc21
InChIInChI=1S/C17H19NOS/c19-16(10-2-7-14-8-4-12-20-14)15-9-1-5-13-6-3-11-18-17(13)15/h3-4,6,8,11-12,15H,1-2,5,7,9-10H2
InChIKeyNYZUJOQCTQRBEF-UHFFFAOYSA-N
XLogP4.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one with MolForge

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutan-1-one
CID 105115445
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
4-(methylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116555632
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-pyridin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79746027
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
2-(3-methylphenyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745952
[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105322071
1-(4-methylcyclohexyl)-4-thiophen-2-ylbutan-1-one
CID 105104895
2-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-thiophen-2-ylethanone
CID 116601540
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
3-(aminomethyl)-5-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-one
CID 116576909

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one (CID 105114181) is 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)C1CCCc2cccnc21.
What is the InChIKey of 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is NYZUJOQCTQRBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-16(10-2-7-14-8-4-12-20-14)15-9-1-5-13-6-3-11-18-17(13)15/h3-4,6,8,11-12,15H,1-2,5,7,9-10H2.
What are the key properties of 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one?
1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 285.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroquinolin-8-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105114181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).