11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene

C18H11Cl2N3 — CID 132541945

IUPAC11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene
SMILESClc1ccc(-c2nc3ccc4cn[nH]c4c3c3c2CC3)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3/c19-10-2-3-13(14(20)7-10)18-12-5-4-11(12)16-15(22-18)6-1-9-8-21-23-17(9)16/h1-3,6-8H,4-5H2,(H,21,23)
InChIKeyDQBGBTKYZMGLEF-UHFFFAOYSA-N
MW340.21 g/mol
LogP5.18
Rot. Bonds1

About 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene

11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene (PubChem CID 132541945) has the molecular formula C18H11Cl2N3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene.

Molecular Properties

Compound Name11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene
PubChem CID132541945
Molecular FormulaC18H11Cl2N3
Molecular Weight340.21 g/mol
Exact Mass339.03
IUPAC Name11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene
SMILESClc1ccc(-c2nc3ccc4cn[nH]c4c3c3c2CC3)c(Cl)c1
InChIInChI=1S/C18H11Cl2N3/c19-10-2-3-13(14(20)7-10)18-12-5-4-11(12)16-15(22-18)6-1-9-8-21-23-17(9)16/h1-3,6-8H,4-5H2,(H,21,23)
InChIKeyDQBGBTKYZMGLEF-UHFFFAOYSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene?
The IUPAC name of 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene (CID 132541945) is 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene.
What is the SMILES notation for 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene?
The canonical SMILES for 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene is Clc1ccc(-c2nc3ccc4cn[nH]c4c3c3c2CC3)c(Cl)c1.
What is the InChIKey of 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene?
The InChIKey is DQBGBTKYZMGLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3/c19-10-2-3-13(14(20)7-10)18-12-5-4-11(12)16-15(22-18)6-1-9-8-21-23-17(9)16/h1-3,6-8H,4-5H2,(H,21,23).
What are the key properties of 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene?
11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene has a molecular weight of 340.21 g/mol, XLogP of 5.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dichlorophenyl)-3,4,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),4,7,10,12(15)-hexaene is sourced from PubChem (CID 132541945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).