2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

C24H21N3 — CID 68994375

IUPAC2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
InChIKeyVLBMNJKZTDKZNF-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.87
Rot. Bonds2

About 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline

2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68994375) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68994375
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
InChIKeyVLBMNJKZTDKZNF-UHFFFAOYSA-N
XLogP4.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline (CID 68994375) is 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3cccnn3)ccc2C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VLBMNJKZTDKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 351.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-yl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68994375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).