2-methyl-2-thiophen-3-yl-1H-quinoline

C14H13NS — CID 156636113

IUPAC2-methyl-2-thiophen-3-yl-1H-quinoline
SMILESCC1(c2ccsc2)C=Cc2ccccc2N1
InChIInChI=1S/C14H13NS/c1-14(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)15-14/h2-10,15H,1H3
InChIKeyYIMQBYQQURXICY-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.10
Rot. Bonds1

About 2-methyl-2-thiophen-3-yl-1H-quinoline

2-methyl-2-thiophen-3-yl-1H-quinoline (PubChem CID 156636113) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methyl-2-thiophen-3-yl-1H-quinoline.

Molecular Properties

Compound Name2-methyl-2-thiophen-3-yl-1H-quinoline
PubChem CID156636113
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name2-methyl-2-thiophen-3-yl-1H-quinoline
SMILESCC1(c2ccsc2)C=Cc2ccccc2N1
InChIInChI=1S/C14H13NS/c1-14(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)15-14/h2-10,15H,1H3
InChIKeyYIMQBYQQURXICY-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-3-yl-1H-quinoline?
The IUPAC name of 2-methyl-2-thiophen-3-yl-1H-quinoline (CID 156636113) is 2-methyl-2-thiophen-3-yl-1H-quinoline.
What is the SMILES notation for 2-methyl-2-thiophen-3-yl-1H-quinoline?
The canonical SMILES for 2-methyl-2-thiophen-3-yl-1H-quinoline is CC1(c2ccsc2)C=Cc2ccccc2N1.
What is the InChIKey of 2-methyl-2-thiophen-3-yl-1H-quinoline?
The InChIKey is YIMQBYQQURXICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-14(12-7-9-16-10-12)8-6-11-4-2-3-5-13(11)15-14/h2-10,15H,1H3.
What are the key properties of 2-methyl-2-thiophen-3-yl-1H-quinoline?
2-methyl-2-thiophen-3-yl-1H-quinoline has a molecular weight of 227.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-3-yl-1H-quinoline is sourced from PubChem (CID 156636113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).