12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

C24H23N5O — CID 11696925

IUPAC12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2
InChIInChI=1S/C24H23N5O/c1-16-6-4-5-7-19(16)17-8-10-18(11-9-17)24-27-26-22-15-28(2)14-20-21(29(22)24)12-13-23(25-20)30-3/h4-13H,14-15H2,1-3H3
InChIKeyQKSCJOQLYXHOAM-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.26
Rot. Bonds3

About 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene

12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (PubChem CID 11696925) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.

Molecular Properties

Compound Name12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
PubChem CID11696925
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
SMILESCOc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2
InChIInChI=1S/C24H23N5O/c1-16-6-4-5-7-19(16)17-8-10-18(11-9-17)24-27-26-22-15-28(2)14-20-21(29(22)24)12-13-23(25-20)30-3/h4-13H,14-15H2,1-3H3
InChIKeyQKSCJOQLYXHOAM-UHFFFAOYSA-N
XLogP4.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene 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 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The IUPAC name of 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene (CID 11696925) is 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene.
What is the SMILES notation for 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The canonical SMILES for 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is COc1ccc2c(n1)CN(C)Cc1nnc(-c3ccc(-c4ccccc4C)cc3)n1-2.
What is the InChIKey of 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
The InChIKey is QKSCJOQLYXHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-6-4-5-7-19(16)17-8-10-18(11-9-17)24-27-26-22-15-28(2)14-20-21(29(22)24)12-13-23(25-20)30-3/h4-13H,14-15H2,1-3H3.
What are the key properties of 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene?
12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene has a molecular weight of 397.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-8-methyl-3-[4-(2-methylphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene is sourced from PubChem (CID 11696925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).