3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one

C16H11NOS — CID 126839455

IUPAC3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C16H11NOS/c18-15(16-6-3-11-19-16)10-9-13-8-7-12-4-1-2-5-14(12)17-13/h1-11H
InChIKeyOVOZUSIYCCEINL-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.19
Rot. Bonds3

About 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one

3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 126839455) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID126839455
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2n1)c1cccs1
InChIInChI=1S/C16H11NOS/c18-15(16-6-3-11-19-16)10-9-13-8-7-12-4-1-2-5-14(12)17-13/h1-11H
InChIKeyOVOZUSIYCCEINL-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one
CID 74395294
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 18266891
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
(E)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 44885765
(Z)-3-anthracen-9-yl-1-thiophen-2-ylprop-2-en-1-one
CID 139077299
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
(Z)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one
CID 18532509
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
2-(3-methylbuta-1,3-dienyl)quinoline
CID 1274018
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one (CID 126839455) is 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc2ccccc2n1)c1cccs1.
What is the InChIKey of 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is OVOZUSIYCCEINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c18-15(16-6-3-11-19-16)10-9-13-8-7-12-4-1-2-5-14(12)17-13/h1-11H.
What are the key properties of 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one?
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 265.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 126839455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).