4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

C22H19N3O — CID 68995649

IUPAC4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C22H19N3O/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
InChIKeyNUPSCPFZDYCVIV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.47
Rot. Bonds2

About 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68995649) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68995649
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C22H19N3O/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
InChIKeyNUPSCPFZDYCVIV-UHFFFAOYSA-N
XLogP4.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996632
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-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
CID 68998513
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997755
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
2-methyl-4-(1-methylindol-2-yl)-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997686
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995735
4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline
CID 68995370
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68995649) is 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3occc3c2)C1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is NUPSCPFZDYCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3.
What are the key properties of 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 341.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).