3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione

C24H19N3O3 — CID 2817071

IUPAC3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
SMILESCc1ccccc1N1CC(=O)Nc2c(oc3nc(-c4ccccc4)cc(C)c23)C1=O
InChIInChI=1S/C24H19N3O3/c1-14-8-6-7-11-18(14)27-13-19(28)26-21-20-15(2)12-17(16-9-4-3-5-10-16)25-23(20)30-22(21)24(27)29/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyIRXKXXXBNRUYRT-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.71
Rot. Bonds2

About 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione

3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione (PubChem CID 2817071) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione.

Molecular Properties

Compound Name3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
PubChem CID2817071
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
SMILESCc1ccccc1N1CC(=O)Nc2c(oc3nc(-c4ccccc4)cc(C)c23)C1=O
InChIInChI=1S/C24H19N3O3/c1-14-8-6-7-11-18(14)27-13-19(28)26-21-20-15(2)12-17(16-9-4-3-5-10-16)25-23(20)30-22(21)24(27)29/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyIRXKXXXBNRUYRT-UHFFFAOYSA-N
XLogP4.71
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione?
The IUPAC name of 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione (CID 2817071) is 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione.
What is the SMILES notation for 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione?
The canonical SMILES for 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione is Cc1ccccc1N1CC(=O)Nc2c(oc3nc(-c4ccccc4)cc(C)c23)C1=O.
What is the InChIKey of 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione?
The InChIKey is IRXKXXXBNRUYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-14-8-6-7-11-18(14)27-13-19(28)26-21-20-15(2)12-17(16-9-4-3-5-10-16)25-23(20)30-22(21)24(27)29/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione?
3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione has a molecular weight of 397.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-11-(2-methylphenyl)-5-phenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione is sourced from PubChem (CID 2817071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).