4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline

C23H21N3O — CID 68997755

IUPAC4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccoc3c2)nn1
InChIInChI=1S/C23H21N3O/c1-15-3-8-22(25-24-15)18-6-7-20-19(11-18)13-26(2)14-21(20)17-5-4-16-9-10-27-23(16)12-17/h3-12,21H,13-14H2,1-2H3
InChIKeyLCYCQGMPADSKFZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.78
Rot. Bonds2

About 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline

4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 68997755) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID68997755
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccoc3c2)nn1
InChIInChI=1S/C23H21N3O/c1-15-3-8-22(25-24-15)18-6-7-20-19(11-18)13-26(2)14-21(20)17-5-4-16-9-10-27-23(16)12-17/h3-12,21H,13-14H2,1-2H3
InChIKeyLCYCQGMPADSKFZ-UHFFFAOYSA-N
XLogP4.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995735
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
4-(1-benzothiophen-5-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 69001296
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996799
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68997934
5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964582
6-[4-(1-benzothiophen-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 69001258

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline (CID 68997755) is 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline is Cc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccoc3c2)nn1.
What is the InChIKey of 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is LCYCQGMPADSKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-3-8-22(25-24-15)18-6-7-20-19(11-18)13-26(2)14-21(20)17-5-4-16-9-10-27-23(16)12-17/h3-12,21H,13-14H2,1-2H3.
What are the key properties of 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 355.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68997755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).