1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone

C16H13NOS — CID 114979736

IUPAC1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccnc3ccccc23)s1
InChIInChI=1S/C16H13NOS/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-9H,10H2,1H3
InChIKeyHLSBBNYBKKPQSB-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.03
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone

1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone (PubChem CID 114979736) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
PubChem CID114979736
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccnc3ccccc23)s1
InChIInChI=1S/C16H13NOS/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-9H,10H2,1H3
InChIKeyHLSBBNYBKKPQSB-UHFFFAOYSA-N
XLogP4.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone 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-(5-methylpyrazin-2-yl)-2-quinolin-4-ylethanone
CID 105109033
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
CID 11380387
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979759
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
3-hydroxy-4,4-dimethyl-1-quinolin-4-ylpentan-2-one
CID 103456262
1-(2-iodophenyl)-2-quinolin-4-ylethanone
CID 114979720
1-(2-methylsulfanylphenyl)-2-quinolin-4-ylethanone
CID 114979659
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone (CID 114979736) is 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone is Cc1ccc(C(=O)Cc2ccnc3ccccc23)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone?
The InChIKey is HLSBBNYBKKPQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c1-11-6-7-16(19-11)15(18)10-12-8-9-17-14-5-3-2-4-13(12)14/h2-9H,10H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone?
1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 114979736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).