3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol

C20H17N3O3 — CID 134142825

IUPAC3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol
SMILESOc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1
InChIInChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2
InChIKeyCRZTZRWPHCWXOK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds2

About 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol

3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol (PubChem CID 134142825) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol.

Molecular Properties

Compound Name3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol
PubChem CID134142825
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol
SMILESOc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1
InChIInChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2
InChIKeyCRZTZRWPHCWXOK-UHFFFAOYSA-N
XLogP3.59
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol 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 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol?
The IUPAC name of 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol (CID 134142825) is 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol.
What is the SMILES notation for 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol?
The canonical SMILES for 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol is Oc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol?
The InChIKey is CRZTZRWPHCWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2.
What are the key properties of 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol?
3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol has a molecular weight of 347.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)phenol is sourced from PubChem (CID 134142825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).