2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline

C18H19NS — CID 79206283

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(CC1Cc3ccccc3S1)N2
InChIInChI=1S/C18H19NS/c1-3-7-17-13(5-1)9-10-15(19-17)12-16-11-14-6-2-4-8-18(14)20-16/h1-8,15-16,19H,9-12H2
InChIKeyWBRVVBUNIPTYCJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.52
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79206283) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID79206283
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCC(CC1Cc3ccccc3S1)N2
InChIInChI=1S/C18H19NS/c1-3-7-17-13(5-1)9-10-15(19-17)12-16-11-14-6-2-4-8-18(14)20-16/h1-8,15-16,19H,9-12H2
InChIKeyWBRVVBUNIPTYCJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
CID 79228612
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 113440439
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline (CID 79206283) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCC(CC1Cc3ccccc3S1)N2.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WBRVVBUNIPTYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-7-17-13(5-1)9-10-15(19-17)12-16-11-14-6-2-4-8-18(14)20-16/h1-8,15-16,19H,9-12H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.42 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79206283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).