2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C20H19N3O — CID 59573750

IUPAC2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccccc1N1c2ncccc2CCc2cc(C)cnc21
InChIInChI=1S/C20H19N3O/c1-14-12-16-10-9-15-6-5-11-21-19(15)23(20(16)22-13-14)17-7-3-4-8-18(17)24-2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyTVLSOQGWIHIOIO-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.36
Rot. Bonds2

About 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 59573750) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID59573750
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccccc1N1c2ncccc2CCc2cc(C)cnc21
InChIInChI=1S/C20H19N3O/c1-14-12-16-10-9-15-6-5-11-21-19(15)23(20(16)22-13-14)17-7-3-4-8-18(17)24-2/h3-8,11-13H,9-10H2,1-2H3
InChIKeyTVLSOQGWIHIOIO-UHFFFAOYSA-N
XLogP4.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 59573750) is 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is COc1ccccc1N1c2ncccc2CCc2cc(C)cnc21.
What is the InChIKey of 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is TVLSOQGWIHIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-12-16-10-9-15-6-5-11-21-19(15)23(20(16)22-13-14)17-7-3-4-8-18(17)24-2/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 317.39 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-methyl-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 59573750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).