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

C22H18FN3O — CID 68997108

IUPAC4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)c(F)cc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C22H18FN3O/c1-26-12-15-9-17(20-6-4-8-24-25-20)19(23)11-16(15)18(13-26)22-10-14-5-2-3-7-21(14)27-22/h2-11,18H,12-13H2,1H3
InChIKeyQYGONWYOOYMNOI-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.61
Rot. Bonds2

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

4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68997108) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68997108
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)c(F)cc2C(c2cc3ccccc3o2)C1
InChIInChI=1S/C22H18FN3O/c1-26-12-15-9-17(20-6-4-8-24-25-20)19(23)11-16(15)18(13-26)22-10-14-5-2-3-7-21(14)27-22/h2-11,18H,12-13H2,1H3
InChIKeyQYGONWYOOYMNOI-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-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
4-(1-benzofuran-2-yl)-8-fluoro-2-methyl-7-pyridazin-4-yl-3,4-dihydro-1H-isoquinoline
CID 69001523
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-thiazole
CID 68997752
4-[6-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68998969
2-[4-(1-benzofuran-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-N-methylpropan-2-amine
CID 69049788
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
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964384
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996632
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
5-(1-benzothiophen-2-yl)-7-fluoro-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine
CID 66965239
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964711

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68997108) is 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3cccnn3)c(F)cc2C(c2cc3ccccc3o2)C1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QYGONWYOOYMNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-26-12-15-9-17(20-6-4-8-24-25-20)19(23)11-16(15)18(13-26)22-10-14-5-2-3-7-21(14)27-22/h2-11,18H,12-13H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-2-yl)-6-fluoro-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-(1-benzofuran-2-yl)-6-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68997108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).