2-(5-ethynylthiophen-3-yl)-6-methylquinoline

C16H11NS — CID 158205863

IUPAC2-(5-ethynylthiophen-3-yl)-6-methylquinoline
SMILESC#Cc1cc(-c2ccc3cc(C)ccc3n2)cs1
InChIInChI=1S/C16H11NS/c1-3-14-9-13(10-18-14)16-7-5-12-8-11(2)4-6-15(12)17-16/h1,4-10H,2H3
InChIKeyKDODWVXVFQVCOG-UHFFFAOYSA-N
MW249.34 g/mol
LogP4.25
Rot. Bonds1

About 2-(5-ethynylthiophen-3-yl)-6-methylquinoline

2-(5-ethynylthiophen-3-yl)-6-methylquinoline (PubChem CID 158205863) has the molecular formula C16H11NS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(5-ethynylthiophen-3-yl)-6-methylquinoline.

Molecular Properties

Compound Name2-(5-ethynylthiophen-3-yl)-6-methylquinoline
PubChem CID158205863
Molecular FormulaC16H11NS
Molecular Weight249.34 g/mol
Exact Mass249.06
IUPAC Name2-(5-ethynylthiophen-3-yl)-6-methylquinoline
SMILESC#Cc1cc(-c2ccc3cc(C)ccc3n2)cs1
InChIInChI=1S/C16H11NS/c1-3-14-9-13(10-18-14)16-7-5-12-8-11(2)4-6-15(12)17-16/h1,4-10H,2H3
InChIKeyKDODWVXVFQVCOG-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-ethynylthiophen-3-yl)-6-methylquinoline 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

2-(4-fluorophenyl)-6-methylquinoline
CID 13224215
2,5-dimethyl-4-(6-methylquinolin-2-yl)-1,3-thiazole
CID 58774484
[3-(6-methylquinolin-2-yl)phenyl]methanamine
CID 174921519
2-chloro-3-ethynyl-6-methylquinoline
CID 139193313
6-methyl-2-(6-methylquinolin-2-yl)quinazoline
CID 130272199
6-ethynyl-2-phenylquinoline
CID 174753499
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
2,7-dimethylacridine
CID 14490101
2-(6-methylquinolin-2-yl)benzene-1,4-diol
CID 136961373
6-methyl-2-(5-methylcyclohexa-1,3-dien-1-yl)quinoline
CID 143289961
iodomethane;2-iodo-6-methylquinoline
CID 87637149
6-methyl-2-methylsulfonylquinoline
CID 138563727

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethynylthiophen-3-yl)-6-methylquinoline?
The IUPAC name of 2-(5-ethynylthiophen-3-yl)-6-methylquinoline (CID 158205863) is 2-(5-ethynylthiophen-3-yl)-6-methylquinoline.
What is the SMILES notation for 2-(5-ethynylthiophen-3-yl)-6-methylquinoline?
The canonical SMILES for 2-(5-ethynylthiophen-3-yl)-6-methylquinoline is C#Cc1cc(-c2ccc3cc(C)ccc3n2)cs1.
What is the InChIKey of 2-(5-ethynylthiophen-3-yl)-6-methylquinoline?
The InChIKey is KDODWVXVFQVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS/c1-3-14-9-13(10-18-14)16-7-5-12-8-11(2)4-6-15(12)17-16/h1,4-10H,2H3.
What are the key properties of 2-(5-ethynylthiophen-3-yl)-6-methylquinoline?
2-(5-ethynylthiophen-3-yl)-6-methylquinoline has a molecular weight of 249.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethynylthiophen-3-yl)-6-methylquinoline is sourced from PubChem (CID 158205863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).