8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol

C24H22N4O — CID 135900352

IUPAC8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
SMILESCN1CCc2c(-c3ccccc3)cc3c(/N=N/c4ccccc4)c(O)[nH]c3c2C1
InChIInChI=1S/C24H22N4O/c1-28-13-12-18-19(16-8-4-2-5-9-16)14-20-22(21(18)15-28)25-24(29)23(20)27-26-17-10-6-3-7-11-17/h2-11,14,25,29H,12-13,15H2,1H3/b27-26+
InChIKeyVPJPILBZQCKQSM-CYYJNZCTSA-N
MW382.47 g/mol
LogP5.94
Rot. Bonds3

About 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol

8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol (PubChem CID 135900352) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol.

Molecular Properties

Compound Name8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
PubChem CID135900352
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
SMILESCN1CCc2c(-c3ccccc3)cc3c(/N=N/c4ccccc4)c(O)[nH]c3c2C1
InChIInChI=1S/C24H22N4O/c1-28-13-12-18-19(16-8-4-2-5-9-16)14-20-22(21(18)15-28)25-24(29)23(20)27-26-17-10-6-3-7-11-17/h2-11,14,25,29H,12-13,15H2,1H3/b27-26+
InChIKeyVPJPILBZQCKQSM-CYYJNZCTSA-N
XLogP5.94
TPSA63.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol 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 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The IUPAC name of 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol (CID 135900352) is 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol.
What is the SMILES notation for 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The canonical SMILES for 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol is CN1CCc2c(-c3ccccc3)cc3c(/N=N/c4ccccc4)c(O)[nH]c3c2C1.
What is the InChIKey of 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The InChIKey is VPJPILBZQCKQSM-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28-13-12-18-19(16-8-4-2-5-9-16)14-20-22(21(18)15-28)25-24(29)23(20)27-26-17-10-6-3-7-11-17/h2-11,14,25,29H,12-13,15H2,1H3/b27-26+.
What are the key properties of 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol has a molecular weight of 382.47 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-3-phenyldiazenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol is sourced from PubChem (CID 135900352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).