4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene

C22H17Cl2N3O2 — CID 25187293

IUPAC4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene
SMILESClc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCOC4)cc1
InChIInChI=1S/C22H17Cl2N3O2/c23-15-5-7-16(8-6-15)27-22(29-12-14-3-1-2-4-19(14)24)17-11-25-20-9-10-28-13-18(20)21(17)26-27/h1-8,11H,9-10,12-13H2
InChIKeyQWIODYKZVMUKJC-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.38
Rot. Bonds4

About 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene

4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene (PubChem CID 25187293) has the molecular formula C22H17Cl2N3O2 and a molecular weight of 426.30 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene
PubChem CID25187293
Molecular FormulaC22H17Cl2N3O2
Molecular Weight426.30 g/mol
Exact Mass425.07
IUPAC Name4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene
SMILESClc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCOC4)cc1
InChIInChI=1S/C22H17Cl2N3O2/c23-15-5-7-16(8-6-15)27-22(29-12-14-3-1-2-4-19(14)24)17-11-25-20-9-10-28-13-18(20)21(17)26-27/h1-8,11H,9-10,12-13H2
InChIKeyQWIODYKZVMUKJC-UHFFFAOYSA-N
XLogP5.38
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene 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 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene?
The IUPAC name of 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene (CID 25187293) is 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene?
The canonical SMILES for 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene is Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCOC4)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene?
The InChIKey is QWIODYKZVMUKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2/c23-15-5-7-16(8-6-15)27-22(29-12-14-3-1-2-4-19(14)24)17-11-25-20-9-10-28-13-18(20)21(17)26-27/h1-8,11H,9-10,12-13H2.
What are the key properties of 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene?
4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene has a molecular weight of 426.30 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[(2-chlorophenyl)methoxy]-12-oxa-3,4,8-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraene is sourced from PubChem (CID 25187293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).