1-(2-thiophen-3-ylethyl)-4H-quinoline

C15H15NS — CID 174278289

IUPAC1-(2-thiophen-3-ylethyl)-4H-quinoline
SMILESC1=CN(CCc2ccsc2)c2ccccc2C1
InChIInChI=1S/C15H15NS/c1-2-6-15-14(4-1)5-3-9-16(15)10-7-13-8-11-17-12-13/h1-4,6,8-9,11-12H,5,7,10H2
InChIKeyFZZKEVBNNGHNAT-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-thiophen-3-ylethyl)-4H-quinoline

1-(2-thiophen-3-ylethyl)-4H-quinoline (PubChem CID 174278289) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylethyl)-4H-quinoline.

Molecular Properties

Compound Name1-(2-thiophen-3-ylethyl)-4H-quinoline
PubChem CID174278289
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name1-(2-thiophen-3-ylethyl)-4H-quinoline
SMILESC1=CN(CCc2ccsc2)c2ccccc2C1
InChIInChI=1S/C15H15NS/c1-2-6-15-14(4-1)5-3-9-16(15)10-7-13-8-11-17-12-13/h1-4,6,8-9,11-12H,5,7,10H2
InChIKeyFZZKEVBNNGHNAT-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-thiophen-2-ylethyl)-4H-quinoline
CID 174281222
(8Z)-1-(2-thiophen-3-ylethyl)-3,4,6,7-tetrahydroazonine-2,5-dione
CID 122380793
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 55085249
1-chloro-4H-quinoline
CID 87098649
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548
4-chloro-1-(2-thiophen-3-ylethyl)azepane
CID 130637760
N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
CID 54953358
3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidine
CID 127001246
[2-(2-thiophen-3-ylethyl)-1,3-dihydroinden-2-yl]methanamine
CID 65407126
4-(thiophen-3-ylmethyl)-1,4-benzoxazin-3-one
CID 54161143
1-(2,3-dihydro-1H-inden-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 65409928
3-[2-[1-(chloromethyl)-3,4-dihydro-2H-naphthalen-1-yl]ethyl]thiophene
CID 66033638

Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylethyl)-4H-quinoline?
The IUPAC name of 1-(2-thiophen-3-ylethyl)-4H-quinoline (CID 174278289) is 1-(2-thiophen-3-ylethyl)-4H-quinoline.
What is the SMILES notation for 1-(2-thiophen-3-ylethyl)-4H-quinoline?
The canonical SMILES for 1-(2-thiophen-3-ylethyl)-4H-quinoline is C1=CN(CCc2ccsc2)c2ccccc2C1.
What is the InChIKey of 1-(2-thiophen-3-ylethyl)-4H-quinoline?
The InChIKey is FZZKEVBNNGHNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-2-6-15-14(4-1)5-3-9-16(15)10-7-13-8-11-17-12-13/h1-4,6,8-9,11-12H,5,7,10H2.
What are the key properties of 1-(2-thiophen-3-ylethyl)-4H-quinoline?
1-(2-thiophen-3-ylethyl)-4H-quinoline has a molecular weight of 241.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylethyl)-4H-quinoline is sourced from PubChem (CID 174278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).