4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

C23H21N3O — CID 68996799

IUPAC4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccoc3c2)C1
InChIInChI=1S/C23H21N3O/c1-2-26-14-19-12-18(22-4-3-10-24-25-22)7-8-20(19)21(15-26)17-6-5-16-9-11-27-23(16)13-17/h3-13,21H,2,14-15H2,1H3
InChIKeyXCNYDBXFEMTTPA-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.86
Rot. Bonds3

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

4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996799) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68996799
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccoc3c2)C1
InChIInChI=1S/C23H21N3O/c1-2-26-14-19-12-18(22-4-3-10-24-25-22)7-8-20(19)21(15-26)17-6-5-16-9-11-27-23(16)13-17/h3-13,21H,2,14-15H2,1H3
InChIKeyXCNYDBXFEMTTPA-UHFFFAOYSA-N
XLogP4.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997755
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995735
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
CID 68998513
4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68999423
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
(4S)-4-(1-benzofuran-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 129394396

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68996799) is 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is CCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccoc3c2)C1.
What is the InChIKey of 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XCNYDBXFEMTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-26-14-19-12-18(22-4-3-10-24-25-22)7-8-20(19)21(15-26)17-6-5-16-9-11-27-23(16)13-17/h3-13,21H,2,14-15H2,1H3.
What are the key properties of 4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 355.44 g/mol, XLogP of 4.86, 3 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-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).