2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C20H17N3OSe — CID 59572424

IUPAC2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCO2
InChIInChI=1S/C20H17N3OSe/c1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-3,6-11H,4-5,12H2,1H3
InChIKeyAKDHNAYJGNSPGI-UHFFFAOYSA-N
MW394.34 g/mol
LogP2.55
Rot. Bonds1

About 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572424) has the molecular formula C20H17N3OSe and a molecular weight of 394.34 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572424
Molecular FormulaC20H17N3OSe
Molecular Weight394.34 g/mol
Exact Mass395.05
IUPAC Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCO2
InChIInChI=1S/C20H17N3OSe/c1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-3,6-11H,4-5,12H2,1H3
InChIKeyAKDHNAYJGNSPGI-UHFFFAOYSA-N
XLogP2.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-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-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572424) is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1ccc(N2c3ncccc3[Se]c3cccnc32)c2c1CCCO2.
What is the InChIKey of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is AKDHNAYJGNSPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OSe/c1-13-8-9-15(18-14(13)5-4-12-24-18)23-19-16(6-2-10-21-19)25-17-7-3-11-22-20(17)23/h2-3,6-11H,4-5,12H2,1H3.
What are the key properties of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 394.34 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-9-selena-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).