1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one

C16H13NOS — CID 105099902

IUPAC1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1cccc2ncccc12
InChIInChI=1S/C16H13NOS/c18-16(7-6-12-8-10-19-11-12)14-3-1-5-15-13(14)4-2-9-17-15/h1-5,8-11H,6-7H2
InChIKeyQJTWADQRRCLPPG-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.11
Rot. Bonds4

About 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one

1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one (PubChem CID 105099902) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one
PubChem CID105099902
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1cccc2ncccc12
InChIInChI=1S/C16H13NOS/c18-16(7-6-12-8-10-19-11-12)14-3-1-5-15-13(14)4-2-9-17-15/h1-5,8-11H,6-7H2
InChIKeyQJTWADQRRCLPPG-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one 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

1-quinolin-5-ylhexan-1-one
CID 115789824
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
2-(4-aminophenyl)-1-quinolin-5-ylethanone
CID 116549569
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanone
CID 81220404
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one (CID 105099902) is 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1cccc2ncccc12.
What is the InChIKey of 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one?
The InChIKey is QJTWADQRRCLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-16(7-6-12-8-10-19-11-12)14-3-1-5-15-13(14)4-2-9-17-15/h1-5,8-11H,6-7H2.
What are the key properties of 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one?
1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one has a molecular weight of 267.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-yl-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 105099902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).