2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C25H23N3 — CID 68996070

IUPAC2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccccc3c2)nn1
InChIInChI=1S/C25H23N3/c1-17-7-12-25(27-26-17)21-10-11-23-22(14-21)15-28(2)16-24(23)20-9-8-18-5-3-4-6-19(18)13-20/h3-14,24H,15-16H2,1-2H3
InChIKeyOVNXGPIYPAUQDM-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.18
Rot. Bonds2

About 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68996070) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68996070
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccccc3c2)nn1
InChIInChI=1S/C25H23N3/c1-17-7-12-25(27-26-17)21-10-11-23-22(14-21)15-28(2)16-24(23)20-9-8-18-5-3-4-6-19(18)13-20/h3-14,24H,15-16H2,1-2H3
InChIKeyOVNXGPIYPAUQDM-UHFFFAOYSA-N
XLogP5.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 68996070) is 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is Cc1ccc(-c2ccc3c(c2)CN(C)CC3c2ccc3ccccc3c2)nn1.
What is the InChIKey of 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OVNXGPIYPAUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-17-7-12-25(27-26-17)21-10-11-23-22(14-21)15-28(2)16-24(23)20-9-8-18-5-3-4-6-19(18)13-20/h3-14,24H,15-16H2,1-2H3.
What are the key properties of 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 365.48 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68996070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).