10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C20H15ClN6O2 — CID 4903192

IUPAC10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)cc1OC
InChIInChI=1S/C20H15ClN6O2/c1-28-16-8-7-12(9-17(16)29-2)18-24-20-13-10-23-27(15-6-4-3-5-14(15)21)19(13)22-11-26(20)25-18/h3-11H,1-2H3
InChIKeyFWIDLXWGIDLXIL-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.80
Rot. Bonds4

About 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4903192) has the molecular formula C20H15ClN6O2 and a molecular weight of 406.83 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4903192
Molecular FormulaC20H15ClN6O2
Molecular Weight406.83 g/mol
Exact Mass406.09
IUPAC Name10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)cc1OC
InChIInChI=1S/C20H15ClN6O2/c1-28-16-8-7-12(9-17(16)29-2)18-24-20-13-10-23-27(15-6-4-3-5-14(15)21)19(13)22-11-26(20)25-18/h3-11H,1-2H3
InChIKeyFWIDLXWGIDLXIL-UHFFFAOYSA-N
XLogP3.80
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4903192) is 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1ccc(-c2nc3c4cnn(-c5ccccc5Cl)c4ncn3n2)cc1OC.
What is the InChIKey of 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is FWIDLXWGIDLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O2/c1-28-16-8-7-12(9-17(16)29-2)18-24-20-13-10-23-27(15-6-4-3-5-14(15)21)19(13)22-11-26(20)25-18/h3-11H,1-2H3.
What are the key properties of 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 406.83 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-4-(3,4-dimethoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).