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

C23H17N3O3 — CID 2816989

IUPAC3-methyl-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
SMILESCc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1ccccc1)C3=O
InChIInChI=1S/C23H17N3O3/c1-14-12-17(15-8-4-2-5-9-15)24-22-19(14)20-21(29-22)23(28)26(13-18(27)25-20)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyUWEJLYYDHCFLJM-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.40
Rot. Bonds2

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

3-methyl-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione (PubChem CID 2816989) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-methyl-5,11-diphenyl-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-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
PubChem CID2816989
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name3-methyl-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
SMILESCc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1ccccc1)C3=O
InChIInChI=1S/C23H17N3O3/c1-14-12-17(15-8-4-2-5-9-15)24-22-19(14)20-21(29-22)23(28)26(13-18(27)25-20)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyUWEJLYYDHCFLJM-UHFFFAOYSA-N
XLogP4.40
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5,11-diphenyl-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-5,11-diphenyl-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-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione (CID 2816989) is 3-methyl-5,11-diphenyl-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-5,11-diphenyl-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-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione is Cc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1ccccc1)C3=O.
What is the InChIKey of 3-methyl-5,11-diphenyl-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 UWEJLYYDHCFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-14-12-17(15-8-4-2-5-9-15)24-22-19(14)20-21(29-22)23(28)26(13-18(27)25-20)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 3-methyl-5,11-diphenyl-8-oxa-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione?
3-methyl-5,11-diphenyl-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 383.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,11-diphenyl-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 2816989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).