4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline

C23H21N3O — CID 68995370

IUPAC4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(C)(c2ccc3occc3c2)C1
InChIInChI=1S/C23H21N3O/c1-23(19-6-8-22-17(13-19)9-11-27-22)15-26(2)14-18-12-16(5-7-20(18)23)21-4-3-10-24-25-21/h3-13H,14-15H2,1-2H3
InChIKeyIYXKLLQFFRYXOF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.64
Rot. Bonds2

About 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline

4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline (PubChem CID 68995370) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline
PubChem CID68995370
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(C)(c2ccc3occc3c2)C1
InChIInChI=1S/C23H21N3O/c1-23(19-6-8-22-17(13-19)9-11-27-22)15-26(2)14-18-12-16(5-7-20(18)23)21-4-3-10-24-25-21/h3-13H,14-15H2,1-2H3
InChIKeyIYXKLLQFFRYXOF-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline?
The IUPAC name of 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline (CID 68995370) is 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline is CN1Cc2cc(-c3cccnn3)ccc2C(C)(c2ccc3occc3c2)C1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline?
The InChIKey is IYXKLLQFFRYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-23(19-6-8-22-17(13-19)9-11-27-22)15-26(2)14-18-12-16(5-7-20(18)23)21-4-3-10-24-25-21/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline?
4-(1-benzofuran-5-yl)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline has a molecular weight of 355.44 g/mol, XLogP of 4.64, 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)-2,4-dimethyl-7-pyridazin-3-yl-1,3-dihydroisoquinoline is sourced from PubChem (CID 68995370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).