8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline

C18H19NOS — CID 79228546

IUPAC8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(COc1cccc3c1NCCC3)S2
InChIInChI=1S/C18H19NOS/c1-2-9-17-14(5-1)11-15(21-17)12-20-16-8-3-6-13-7-4-10-19-18(13)16/h1-3,5-6,8-9,15,19H,4,7,10-12H2
InChIKeyNJAQSYMOLSMRTN-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.14
Rot. Bonds3

About 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline

8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 79228546) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID79228546
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(COc1cccc3c1NCCC3)S2
InChIInChI=1S/C18H19NOS/c1-2-9-17-14(5-1)11-15(21-17)12-20-16-8-3-6-13-7-4-10-19-18(13)16/h1-3,5-6,8-9,15,19H,4,7,10-12H2
InChIKeyNJAQSYMOLSMRTN-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403843
1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 79211924
8-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79219091
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
(1R)-1-[2-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)phenyl]ethanol
CID 79222447
8-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075706
2-chloro-6-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)benzaldehyde
CID 79222737
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075693
8-[(5,5-dimethyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 116522225

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline (CID 79228546) is 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(COc1cccc3c1NCCC3)S2.
What is the InChIKey of 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is NJAQSYMOLSMRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-9-17-14(5-1)11-15(21-17)12-20-16-8-3-6-13-7-4-10-19-18(13)16/h1-3,5-6,8-9,15,19H,4,7,10-12H2.
What are the key properties of 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline?
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 297.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79228546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).