2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline

C16H15NS — CID 8966475

IUPAC2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
SMILESCc1cc(-c2cc(C)c3ccccc3n2)c(C)s1
InChIInChI=1S/C16H15NS/c1-10-8-16(14-9-11(2)18-12(14)3)17-15-7-5-4-6-13(10)15/h4-9H,1-3H3
InChIKeyNKTQDMFGKGHLRY-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.89
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline

2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline (PubChem CID 8966475) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
PubChem CID8966475
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
SMILESCc1cc(-c2cc(C)c3ccccc3n2)c(C)s1
InChIInChI=1S/C16H15NS/c1-10-8-16(14-9-11(2)18-12(14)3)17-15-7-5-4-6-13(10)15/h4-9H,1-3H3
InChIKeyNKTQDMFGKGHLRY-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
1-[2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 114755378
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline (CID 8966475) is 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline is Cc1cc(-c2cc(C)c3ccccc3n2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline?
The InChIKey is NKTQDMFGKGHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-10-8-16(14-9-11(2)18-12(14)3)17-15-7-5-4-6-13(10)15/h4-9H,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline?
2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline has a molecular weight of 253.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline is sourced from PubChem (CID 8966475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).