13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C20H18N4O2 — CID 7023174

IUPAC13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(-c2ccccc2)nc2oc3c(N4CCOCC4)ncnc3c12
InChIInChI=1S/C20H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)23-20-16(13)17-18(26-20)19(22-12-21-17)24-7-9-25-10-8-24/h2-6,11-12H,7-10H2,1H3
InChIKeyXHLVPKJPNKNMET-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.58
Rot. Bonds2

About 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 7023174) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID7023174
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc(-c2ccccc2)nc2oc3c(N4CCOCC4)ncnc3c12
InChIInChI=1S/C20H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)23-20-16(13)17-18(26-20)19(22-12-21-17)24-7-9-25-10-8-24/h2-6,11-12H,7-10H2,1H3
InChIKeyXHLVPKJPNKNMET-UHFFFAOYSA-N
XLogP3.58
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-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 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 7023174) is 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc(-c2ccccc2)nc2oc3c(N4CCOCC4)ncnc3c12.
What is the InChIKey of 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is XHLVPKJPNKNMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-11-15(14-5-3-2-4-6-14)23-20-16(13)17-18(26-20)19(22-12-21-17)24-7-9-25-10-8-24/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 346.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-6-morpholin-4-yl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 7023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).