4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline

C20H19N3 — CID 122197234

IUPAC4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C2CNCc3cc(-c4cccnn4)ccc32)cc1
InChIInChI=1S/C20H19N3/c1-14-4-6-15(7-5-14)19-13-21-12-17-11-16(8-9-18(17)19)20-3-2-10-22-23-20/h2-11,19,21H,12-13H2,1H3
InChIKeyLGHFQLREBMQWRS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.69
Rot. Bonds2

About 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline

4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 122197234) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID122197234
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1ccc(C2CNCc3cc(-c4cccnn4)ccc32)cc1
InChIInChI=1S/C20H19N3/c1-14-4-6-15(7-5-14)19-13-21-12-17-11-16(8-9-18(17)19)20-3-2-10-22-23-20/h2-11,19,21H,12-13H2,1H3
InChIKeyLGHFQLREBMQWRS-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline (CID 122197234) is 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline is Cc1ccc(C2CNCc3cc(-c4cccnn4)ccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LGHFQLREBMQWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-14-4-6-15(7-5-14)19-13-21-12-17-11-16(8-9-18(17)19)20-3-2-10-22-23-20/h2-11,19,21H,12-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline?
4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 301.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 122197234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).