10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

C15H10ClN5 — CID 71295378

IUPAC10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCc1nc2c(-c3ccccc3Cl)nccc2n2cnnc12
InChIInChI=1S/C15H10ClN5/c1-9-15-20-18-8-21(15)12-6-7-17-13(14(12)19-9)10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyMKNKATFTYJDXNJ-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.30
Rot. Bonds1

About 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (PubChem CID 71295378) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.

Molecular Properties

Compound Name10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
PubChem CID71295378
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
SMILESCc1nc2c(-c3ccccc3Cl)nccc2n2cnnc12
InChIInChI=1S/C15H10ClN5/c1-9-15-20-18-8-21(15)12-6-7-17-13(14(12)19-9)10-4-2-3-5-11(10)16/h2-8H,1H3
InChIKeyMKNKATFTYJDXNJ-UHFFFAOYSA-N
XLogP3.30
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-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 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The IUPAC name of 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene (CID 71295378) is 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene.
What is the SMILES notation for 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The canonical SMILES for 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is Cc1nc2c(-c3ccccc3Cl)nccc2n2cnnc12.
What is the InChIKey of 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
The InChIKey is MKNKATFTYJDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c1-9-15-20-18-8-21(15)12-6-7-17-13(14(12)19-9)10-4-2-3-5-11(10)16/h2-8H,1H3.
What are the key properties of 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene?
10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene has a molecular weight of 295.73 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-7-methyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene is sourced from PubChem (CID 71295378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).