4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

C24H28N2S — CID 68999116

IUPAC4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(CN3CCCCC3)ccc2C(c2cc3ccccc3s2)C1
InChIInChI=1S/C24H28N2S/c1-25-16-20-13-18(15-26-11-5-2-6-12-26)9-10-21(20)22(17-25)24-14-19-7-3-4-8-23(19)27-24/h3-4,7-10,13-14,22H,2,5-6,11-12,15-17H2,1H3
InChIKeyJGYKKPVTHZOZEG-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.46
Rot. Bonds3

About 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline

4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 68999116) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID68999116
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(CN3CCCCC3)ccc2C(c2cc3ccccc3s2)C1
InChIInChI=1S/C24H28N2S/c1-25-16-20-13-18(15-26-11-5-2-6-12-26)9-10-21(20)22(17-25)24-14-19-7-3-4-8-23(19)27-24/h3-4,7-10,13-14,22H,2,5-6,11-12,15-17H2,1H3
InChIKeyJGYKKPVTHZOZEG-UHFFFAOYSA-N
XLogP5.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-[[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]morpholine
CID 68995959
2-(2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[2,3-b]pyridine
CID 68995714
4-(4-methoxy-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994251
2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)thieno[3,2-b]pyridine
CID 11630541
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964384
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 41311876
4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68995320
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965239
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
(6S)-1-(1-benzothiophen-2-ylmethyl)-4-methyl-1,4-diazepane-6-carboxamide
CID 124970979

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline (CID 68999116) is 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(CN3CCCCC3)ccc2C(c2cc3ccccc3s2)C1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is JGYKKPVTHZOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2S/c1-25-16-20-13-18(15-26-11-5-2-6-12-26)9-10-21(20)22(17-25)24-14-19-7-3-4-8-23(19)27-24/h3-4,7-10,13-14,22H,2,5-6,11-12,15-17H2,1H3.
What are the key properties of 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline?
4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 376.57 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-2-methyl-7-(piperidin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).