9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene

C22H19N3O — CID 46225315

IUPAC9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene
SMILESc1ccc(COCC2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-15(7-3-1)13-26-14-20-18-12-24-22-21(18)17(10-11-23-22)16-8-4-5-9-19(16)25-20/h1-12,20,25H,13-14H2,(H,23,24)
InChIKeyWPMDUWWKHBVKST-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.91
Rot. Bonds4

About 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene

9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene (PubChem CID 46225315) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene.

Molecular Properties

Compound Name9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene
PubChem CID46225315
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene
SMILESc1ccc(COCC2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1
InChIInChI=1S/C22H19N3O/c1-2-6-15(7-3-1)13-26-14-20-18-12-24-22-21(18)17(10-11-23-22)16-8-4-5-9-19(16)25-20/h1-12,20,25H,13-14H2,(H,23,24)
InChIKeyWPMDUWWKHBVKST-UHFFFAOYSA-N
XLogP4.91
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene 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 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The IUPAC name of 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene (CID 46225315) is 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene.
What is the SMILES notation for 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The canonical SMILES for 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene is c1ccc(COCC2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1.
What is the InChIKey of 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene?
The InChIKey is WPMDUWWKHBVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-2-6-15(7-3-1)13-26-14-20-18-12-24-22-21(18)17(10-11-23-22)16-8-4-5-9-19(16)25-20/h1-12,20,25H,13-14H2,(H,23,24).
What are the key properties of 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene?
9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene has a molecular weight of 341.41 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(phenylmethoxymethyl)-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene is sourced from PubChem (CID 46225315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).