6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile

C24H17N3O2 — CID 145319177

IUPAC6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile
SMILESN#Cc1ccc(C23Oc4cncc(C#N)c4C2(O)CCC3c2ccccc2)cc1
InChIInChI=1S/C24H17N3O2/c25-12-16-6-8-19(9-7-16)24-20(17-4-2-1-3-5-17)10-11-23(24,28)22-18(13-26)14-27-15-21(22)29-24/h1-9,14-15,20,28H,10-11H2
InChIKeyFKQOWEXSHCGUJD-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.88
Rot. Bonds2

About 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile

6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile (PubChem CID 145319177) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile.

Molecular Properties

Compound Name6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile
PubChem CID145319177
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile
SMILESN#Cc1ccc(C23Oc4cncc(C#N)c4C2(O)CCC3c2ccccc2)cc1
InChIInChI=1S/C24H17N3O2/c25-12-16-6-8-19(9-7-16)24-20(17-4-2-1-3-5-17)10-11-23(24,28)22-18(13-26)14-27-15-21(22)29-24/h1-9,14-15,20,28H,10-11H2
InChIKeyFKQOWEXSHCGUJD-UHFFFAOYSA-N
XLogP3.88
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile 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-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile?
The IUPAC name of 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile (CID 145319177) is 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile.
What is the SMILES notation for 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile?
The canonical SMILES for 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile is N#Cc1ccc(C23Oc4cncc(C#N)c4C2(O)CCC3c2ccccc2)cc1.
What is the InChIKey of 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile?
The InChIKey is FKQOWEXSHCGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-12-16-6-8-19(9-7-16)24-20(17-4-2-1-3-5-17)10-11-23(24,28)22-18(13-26)14-27-15-21(22)29-24/h1-9,14-15,20,28H,10-11H2.
What are the key properties of 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile?
6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile has a molecular weight of 379.42 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanophenyl)-2-hydroxy-5-phenyl-7-oxa-10-azatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-12-carbonitrile is sourced from PubChem (CID 145319177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).