2-(1-benzothiophen-2-yl)-4-methylquinoline

C18H13NS — CID 71817881

IUPAC2-(1-benzothiophen-2-yl)-4-methylquinoline
SMILESCc1cc(-c2cc3ccccc3s2)nc2ccccc12
InChIInChI=1S/C18H13NS/c1-12-10-16(19-15-8-4-3-7-14(12)15)18-11-13-6-2-5-9-17(13)20-18/h2-11H,1H3
InChIKeyZIULYJAWAOPOBA-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.42
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-4-methylquinoline

2-(1-benzothiophen-2-yl)-4-methylquinoline (PubChem CID 71817881) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-methylquinoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-methylquinoline
PubChem CID71817881
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name2-(1-benzothiophen-2-yl)-4-methylquinoline
SMILESCc1cc(-c2cc3ccccc3s2)nc2ccccc12
InChIInChI=1S/C18H13NS/c1-12-10-16(19-15-8-4-3-7-14(12)15)18-11-13-6-2-5-9-17(13)20-18/h2-11H,1H3
InChIKeyZIULYJAWAOPOBA-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylthiophen-3-yl)-4-methylquinoline
CID 8966475
3-[[2-(1-benzothiophen-2-yl)quinolin-4-yl]amino]propane-1,2-diol
CID 18432930
2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
2-(4-methylquinolin-2-yl)benzenethiol
CID 136656831
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylquinoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylquinoline (CID 71817881) is 2-(1-benzothiophen-2-yl)-4-methylquinoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-methylquinoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-methylquinoline is Cc1cc(-c2cc3ccccc3s2)nc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-methylquinoline?
The InChIKey is ZIULYJAWAOPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c1-12-10-16(19-15-8-4-3-7-14(12)15)18-11-13-6-2-5-9-17(13)20-18/h2-11H,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-methylquinoline?
2-(1-benzothiophen-2-yl)-4-methylquinoline has a molecular weight of 275.38 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-methylquinoline is sourced from PubChem (CID 71817881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).