5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone

C19H14N2O4 — CID 143375185

IUPAC5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone
SMILESCc1ccc(N2C(=O)C3=CC4=C(C=C(C3)C2=O)C(=O)N(C)C4=O)cc1
InChIInChI=1S/C19H14N2O4/c1-10-3-5-13(6-4-10)21-16(22)11-7-12(17(21)23)9-15-14(8-11)18(24)20(2)19(15)25/h3-6,8-9H,7H2,1-2H3
InChIKeyXGVSDKAMSXZIBB-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.42
Rot. Bonds1

About 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone

5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone (PubChem CID 143375185) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone.

Molecular Properties

Compound Name5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone
PubChem CID143375185
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone
SMILESCc1ccc(N2C(=O)C3=CC4=C(C=C(C3)C2=O)C(=O)N(C)C4=O)cc1
InChIInChI=1S/C19H14N2O4/c1-10-3-5-13(6-4-10)21-16(22)11-7-12(17(21)23)9-15-14(8-11)18(24)20(2)19(15)25/h3-6,8-9H,7H2,1-2H3
InChIKeyXGVSDKAMSXZIBB-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone?
The IUPAC name of 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) is 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone.
What is the SMILES notation for 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone?
The canonical SMILES for 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone is Cc1ccc(N2C(=O)C3=CC4=C(C=C(C3)C2=O)C(=O)N(C)C4=O)cc1.
What is the InChIKey of 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone?
The InChIKey is XGVSDKAMSXZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-10-3-5-13(6-4-10)21-16(22)11-7-12(17(21)23)9-15-14(8-11)18(24)20(2)19(15)25/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone?
5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-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 5-methyl-11-(4-methylphenyl)-5,11-diazatricyclo[7.3.1.03,7]trideca-1,3(7),8-triene-4,6,10,12-tetrone is sourced from PubChem (CID 143375185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).