2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline

C23H20N4 — CID 68995347

IUPAC2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3ncncn3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H20N4/c1-27-12-20-11-19(23-25-14-24-15-26-23)8-9-21(20)22(13-27)18-7-6-16-4-2-3-5-17(16)10-18/h2-11,14-15,22H,12-13H2,1H3
InChIKeyCUAVSZWIBRWRTQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.27
Rot. Bonds2

About 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline

2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 68995347) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID68995347
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cc(-c3ncncn3)ccc2C(c2ccc3ccccc3c2)C1
InChIInChI=1S/C23H20N4/c1-27-12-20-11-19(23-25-14-24-15-26-23)8-9-21(20)22(13-27)18-7-6-16-4-2-3-5-17(16)10-18/h2-11,14-15,22H,12-13H2,1H3
InChIKeyCUAVSZWIBRWRTQ-UHFFFAOYSA-N
XLogP4.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline (CID 68995347) is 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline is CN1Cc2cc(-c3ncncn3)ccc2C(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is CUAVSZWIBRWRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-27-12-20-11-19(23-25-14-24-15-26-23)8-9-21(20)22(13-27)18-7-6-16-4-2-3-5-17(16)10-18/h2-11,14-15,22H,12-13H2,1H3.
What are the key properties of 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline?
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 352.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).