12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone

C19H14N2O4 — CID 143097053

IUPAC12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
SMILESCc1ccc(N2C(=O)C3=CCC4=C(C=C3C2=O)C(=O)N(C)C4=O)cc1
InChIInChI=1S/C19H14N2O4/c1-10-3-5-11(6-4-10)21-18(24)13-8-7-12-14(9-15(13)19(21)25)17(23)20(2)16(12)22/h3-6,8-9H,7H2,1-2H3
InChIKeyCZRRBRSLGGQVBH-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.42
Rot. Bonds1

About 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone

12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone (PubChem CID 143097053) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone.

Molecular Properties

Compound Name12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
PubChem CID143097053
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
SMILESCc1ccc(N2C(=O)C3=CCC4=C(C=C3C2=O)C(=O)N(C)C4=O)cc1
InChIInChI=1S/C19H14N2O4/c1-10-3-5-11(6-4-10)21-18(24)13-8-7-12-14(9-15(13)19(21)25)17(23)20(2)16(12)22/h3-6,8-9H,7H2,1-2H3
InChIKeyCZRRBRSLGGQVBH-UHFFFAOYSA-N
XLogP1.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone
CID 143375185
5,12-di(propan-2-yl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone
CID 158002105
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
2-methyl-8H-pyrrolo[3,4-c]azepine-1,3-dione
CID 142053700
2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 90981882
2-methyl-5-[2-[4-[(4-methylphenyl)methyl]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 90278436
1-(4-methylphenyl)-3-piperidin-1-ylpyrrole-2,5-dione
CID 2826037
5,6-dichloro-2-(4-methylphenyl)isoindole-1,3-dione
CID 818224
2-methyl-5-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 59850696
2-methyl-5-[2-[4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 67472814
4-(4-methylphenyl)-1,2,4-triazole-3,5-dione
CID 2760671
3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
CID 58230224

Frequently Asked Questions

What is the IUPAC name of 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The IUPAC name of 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone (CID 143097053) is 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone.
What is the SMILES notation for 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The canonical SMILES for 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone is Cc1ccc(N2C(=O)C3=CCC4=C(C=C3C2=O)C(=O)N(C)C4=O)cc1.
What is the InChIKey of 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
The InChIKey is CZRRBRSLGGQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-10-3-5-11(6-4-10)21-18(24)13-8-7-12-14(9-15(13)19(21)25)17(23)20(2)16(12)22/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone?
12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone has a molecular weight of 334.33 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-5-(4-methylphenyl)-5,12-diazatricyclo[8.3.0.03,7]trideca-1(10),2,7-triene-4,6,11,13-tetrone is sourced from PubChem (CID 143097053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).