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

C22H18FN3O — CID 68998758

IUPAC4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C22H18FN3O/c1-26-12-16-9-14(20-3-2-8-24-25-20)4-6-18(16)19(13-26)22-11-15-10-17(23)5-7-21(15)27-22/h2-11,19H,12-13H2,1H3
InChIKeyDHVHDBDATNUDKK-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.61
Rot. Bonds2

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

4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68998758) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68998758
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C22H18FN3O/c1-26-12-16-9-14(20-3-2-8-24-25-20)4-6-18(16)19(13-26)22-11-15-10-17(23)5-7-21(15)27-22/h2-11,19H,12-13H2,1H3
InChIKeyDHVHDBDATNUDKK-UHFFFAOYSA-N
XLogP4.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997108
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
2-methyl-4-(1-methylindol-2-yl)-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997686
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
CID 68998513
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996799
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 68506660
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
CID 69049788
2-methyl-5-phenoxy-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 25156308
4-(5-fluoro-1-benzofuran-2-yl)-1-methyl-4,5-dihydroimidazole
CID 174395076

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68998758) is 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3cccnn3)ccc2C(c2cc3cc(F)ccc3o2)C1.
What is the InChIKey of 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DHVHDBDATNUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-26-12-16-9-14(20-3-2-8-24-25-20)4-6-18(16)19(13-26)22-11-15-10-17(23)5-7-21(15)27-22/h2-11,19H,12-13H2,1H3.
What are the key properties of 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 359.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68998758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).