2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

C23H23N3O — CID 59572215

IUPAC2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1ccc(N2c3ncccc3CCCc3cccnc32)c2c1CCCO2
InChIInChI=1S/C23H23N3O/c1-16-11-12-20(21-19(16)10-5-15-27-21)26-22-17(8-3-13-24-22)6-2-7-18-9-4-14-25-23(18)26/h3-4,8-9,11-14H,2,5-7,10,15H2,1H3
InChIKeyZSKONYUWWVOJSH-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.07
Rot. Bonds1

About 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene

2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (PubChem CID 59572215) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
PubChem CID59572215
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene
SMILESCc1ccc(N2c3ncccc3CCCc3cccnc32)c2c1CCCO2
InChIInChI=1S/C23H23N3O/c1-16-11-12-20(21-19(16)10-5-15-27-21)26-22-17(8-3-13-24-22)6-2-7-18-9-4-14-25-23(18)26/h3-4,8-9,11-14H,2,5-7,10,15H2,1H3
InChIKeyZSKONYUWWVOJSH-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-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The IUPAC name of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene (CID 59572215) is 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-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-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The canonical SMILES for 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is Cc1ccc(N2c3ncccc3CCCc3cccnc32)c2c1CCCO2.
What is the InChIKey of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
The InChIKey is ZSKONYUWWVOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-11-12-20(21-19(16)10-5-15-27-21)26-22-17(8-3-13-24-22)6-2-7-18-9-4-14-25-23(18)26/h3-4,8-9,11-14H,2,5-7,10,15H2,1H3.
What are the key properties of 2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene?
2-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-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-(5-methyl-3,4-dihydro-2H-chromen-8-yl)-2,4,16-triazatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaene is sourced from PubChem (CID 59572215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).