4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

C23H21N3O — CID 68996632

IUPAC4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(-c2cccnn2)ccc2c1CN(C)CC2c1ccc2occc2c1
InChIInChI=1S/C23H21N3O/c1-15-18(22-4-3-10-24-25-22)6-7-19-20(15)13-26(2)14-21(19)16-5-8-23-17(12-16)9-11-27-23/h3-12,21H,13-14H2,1-2H3
InChIKeyBFFYXXXCCDZYJQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.78
Rot. Bonds2

About 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996632) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68996632
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(-c2cccnn2)ccc2c1CN(C)CC2c1ccc2occc2c1
InChIInChI=1S/C23H21N3O/c1-15-18(22-4-3-10-24-25-22)6-7-19-20(15)13-26(2)14-21(19)16-5-8-23-17(12-16)9-11-27-23/h3-12,21H,13-14H2,1-2H3
InChIKeyBFFYXXXCCDZYJQ-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 69000201
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
4-(1-benzofuran-5-yl)-8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 68998563
4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997342
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313
4-(1-benzofuran-6-yl)-8-fluoro-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 68997783
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996799
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
4-(1-benzothiophen-6-yl)-2,8-dimethyl-7-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68998568
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
(4S)-4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-furo[2,3-h]isoquinoline
CID 11493122

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68996632) is 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is Cc1c(-c2cccnn2)ccc2c1CN(C)CC2c1ccc2occc2c1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BFFYXXXCCDZYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-18(22-4-3-10-24-25-22)6-7-19-20(15)13-26(2)14-21(19)16-5-8-23-17(12-16)9-11-27-23/h3-12,21H,13-14H2,1-2H3.
What are the key properties of 4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 355.44 g/mol, XLogP of 4.78, 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)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).