6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile

C16H7ClN8O — CID 162669013

IUPAC6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile
SMILESN#Cc1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1N
InChIInChI=1S/C16H7ClN8O/c17-9-4-2-1-3-7(9)11-8(5-18)16(26)21-14-12(11)15-23-22-10(6-19)13(20)25(15)24-14/h1-4H,20H2,(H,21,24,26)
InChIKeyOJQDEMGAUHSGRI-UHFFFAOYSA-N
MW362.74 g/mol
LogP1.61
Rot. Bonds1

About 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile

6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile (PubChem CID 162669013) has the molecular formula C16H7ClN8O and a molecular weight of 362.74 g/mol. Its IUPAC name is 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile.

Molecular Properties

Compound Name6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile
PubChem CID162669013
Molecular FormulaC16H7ClN8O
Molecular Weight362.74 g/mol
Exact Mass362.04
IUPAC Name6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile
SMILESN#Cc1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1N
InChIInChI=1S/C16H7ClN8O/c17-9-4-2-1-3-7(9)11-8(5-18)16(26)21-14-12(11)15-23-22-10(6-19)13(20)25(15)24-14/h1-4H,20H2,(H,21,24,26)
InChIKeyOJQDEMGAUHSGRI-UHFFFAOYSA-N
XLogP1.61
TPSA149.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile 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 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile?
The IUPAC name of 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile (CID 162669013) is 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile.
What is the SMILES notation for 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile?
The canonical SMILES for 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile is N#Cc1nnc2c3c(-c4ccccc4Cl)c(C#N)c(=O)[nH]c3nn2c1N.
What is the InChIKey of 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile?
The InChIKey is OJQDEMGAUHSGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClN8O/c17-9-4-2-1-3-7(9)11-8(5-18)16(26)21-14-12(11)15-23-22-10(6-19)13(20)25(15)24-14/h1-4H,20H2,(H,21,24,26).
What are the key properties of 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile?
6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile has a molecular weight of 362.74 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-13-(2-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile is sourced from PubChem (CID 162669013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).