9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile

C24H18N4O2 — CID 10916233

IUPAC9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)c3c(=O)n(-c4ccccc4)nc4c3c2CC4)cc1
InChIInChI=1S/C24H18N4O2/c1-30-16-9-7-14(8-10-16)20-17-11-12-19-21(17)22(23(26)18(20)13-25)24(29)28(27-19)15-5-3-2-4-6-15/h2-10H,11-12,26H2,1H3
InChIKeyGHOQXVWJZIQGCD-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.61
Rot. Bonds3

About 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile

9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile (PubChem CID 10916233) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile.

Molecular Properties

Compound Name9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile
PubChem CID10916233
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)c3c(=O)n(-c4ccccc4)nc4c3c2CC4)cc1
InChIInChI=1S/C24H18N4O2/c1-30-16-9-7-14(8-10-16)20-17-11-12-19-21(17)22(23(26)18(20)13-25)24(29)28(27-19)15-5-3-2-4-6-15/h2-10H,11-12,26H2,1H3
InChIKeyGHOQXVWJZIQGCD-UHFFFAOYSA-N
XLogP3.61
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-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 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile?
The IUPAC name of 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile (CID 10916233) is 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile.
What is the SMILES notation for 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile?
The canonical SMILES for 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile is COc1ccc(-c2c(C#N)c(N)c3c(=O)n(-c4ccccc4)nc4c3c2CC4)cc1.
What is the InChIKey of 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile?
The InChIKey is GHOQXVWJZIQGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-30-16-9-7-14(8-10-16)20-17-11-12-19-21(17)22(23(26)18(20)13-25)24(29)28(27-19)15-5-3-2-4-6-15/h2-10H,11-12,26H2,1H3.
What are the key properties of 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile?
9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile has a molecular weight of 394.43 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-11-(4-methoxyphenyl)-7-oxo-6-phenyl-5,6-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-10-carbonitrile is sourced from PubChem (CID 10916233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).