6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine

C22H20N4S — CID 69001258

IUPAC6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
SMILESCN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3ccsc3c2)C1
InChIInChI=1S/C22H20N4S/c1-26-12-17-10-16(20-6-7-22(23)25-24-20)4-5-18(17)19(13-26)15-3-2-14-8-9-27-21(14)11-15/h2-11,19H,12-13H2,1H3,(H2,23,25)
InChIKeyUFPRNWZCPXPZLC-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.52
Rot. Bonds2

About 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine

6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine (PubChem CID 69001258) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
PubChem CID69001258
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
SMILESCN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3ccsc3c2)C1
InChIInChI=1S/C22H20N4S/c1-26-12-17-10-16(20-6-7-22(23)25-24-20)4-5-18(17)19(13-26)15-3-2-14-8-9-27-21(14)11-15/h2-11,19H,12-13H2,1H3,(H2,23,25)
InChIKeyUFPRNWZCPXPZLC-UHFFFAOYSA-N
XLogP4.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine with MolForge

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Related Compounds

4-(1-benzothiophen-5-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 69001296
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]methanamine
CID 69000689
3-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]cinnoline
CID 68996449
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
4-(1-benzothiophen-5-yl)-2-methyl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68997137
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997755
4-(4-methoxy-1-benzothiophen-5-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68994311
4-(1-benzothiophen-5-yl)-7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68999429
2-[4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N,N-dimethylpropan-2-amine
CID 68994368
4-(1-benzothiophen-6-yl)-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 68997491

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The IUPAC name of 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine (CID 69001258) is 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The canonical SMILES for 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine is CN1Cc2cc(-c3ccc(N)nn3)ccc2C(c2ccc3ccsc3c2)C1.
What is the InChIKey of 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
The InChIKey is UFPRNWZCPXPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-26-12-17-10-16(20-6-7-22(23)25-24-20)4-5-18(17)19(13-26)15-3-2-14-8-9-27-21(14)11-15/h2-11,19H,12-13H2,1H3,(H2,23,25).
What are the key properties of 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine?
6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine has a molecular weight of 372.50 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine is sourced from PubChem (CID 69001258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).