6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile

C25H20N4 — CID 68998513

IUPAC6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3cc(C#N)ccc3c2)C1
InChIInChI=1S/C25H20N4/c1-29-15-22-13-21(25-3-2-10-27-28-25)8-9-23(22)24(16-29)20-7-6-18-11-17(14-26)4-5-19(18)12-20/h2-13,24H,15-16H2,1H3
InChIKeySVXNCIRVAPXYRK-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.75
Rot. Bonds2

About 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile

6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile (PubChem CID 68998513) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
PubChem CID68998513
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3cc(C#N)ccc3c2)C1
InChIInChI=1S/C25H20N4/c1-29-15-22-13-21(25-3-2-10-27-28-25)8-9-23(22)24(16-29)20-7-6-18-11-17(14-26)4-5-19(18)12-20/h2-13,24H,15-16H2,1H3
InChIKeySVXNCIRVAPXYRK-UHFFFAOYSA-N
XLogP4.75
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile?
The IUPAC name of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile (CID 68998513) is 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile.
What is the SMILES notation for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile?
The canonical SMILES for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile is CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3cc(C#N)ccc3c2)C1.
What is the InChIKey of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile?
The InChIKey is SVXNCIRVAPXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-29-15-22-13-21(25-3-2-10-27-28-25)8-9-23(22)24(16-29)20-7-6-18-11-17(14-26)4-5-19(18)12-20/h2-13,24H,15-16H2,1H3.
What are the key properties of 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile?
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile is sourced from PubChem (CID 68998513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).