2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

C23H23N3O — CID 59572344

IUPAC2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1cnc2c(c1)CCCc1cccnc1N2c1cccc2c1OCCC2
InChIInChI=1S/C23H23N3O/c1-16-14-19-8-2-7-18-9-4-12-24-22(18)26(23(19)25-15-16)20-11-3-6-17-10-5-13-27-21(17)20/h3-4,6,9,11-12,14-15H,2,5,7-8,10,13H2,1H3
InChIKeyONRPLOQORMNHMB-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.07
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (PubChem CID 59572344) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
PubChem CID59572344
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1cnc2c(c1)CCCc1cccnc1N2c1cccc2c1OCCC2
InChIInChI=1S/C23H23N3O/c1-16-14-19-8-2-7-18-9-4-12-24-22(18)26(23(19)25-15-16)20-11-3-6-17-10-5-13-27-21(17)20/h3-4,6,9,11-12,14-15H,2,5,7-8,10,13H2,1H3
InChIKeyONRPLOQORMNHMB-UHFFFAOYSA-N
XLogP5.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-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-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (CID 59572344) is 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is Cc1cnc2c(c1)CCCc1cccnc1N2c1cccc2c1OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The InChIKey is ONRPLOQORMNHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-14-19-8-2-7-18-9-4-12-24-22(18)26(23(19)25-15-16)20-11-3-6-17-10-5-13-27-21(17)20/h3-4,6,9,11-12,14-15H,2,5,7-8,10,13H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene has a molecular weight of 357.46 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-yl)-6-methyl-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is sourced from PubChem (CID 59572344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).