9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione

C15H10N4O3 — CID 2920563

IUPAC9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione
SMILESO=c1[nH]cnc2c1C(c1ccccc1)c1c(nc[nH]c1=O)O2
InChIInChI=1S/C15H10N4O3/c20-12-10-9(8-4-2-1-3-5-8)11-13(21)17-7-19-15(11)22-14(10)18-6-16-12/h1-7,9H,(H,16,18,20)(H,17,19,21)
InChIKeyUDZRRRRTMBRJHA-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.14
Rot. Bonds1

About 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione

9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione (PubChem CID 2920563) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione.

Molecular Properties

Compound Name9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione
PubChem CID2920563
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione
SMILESO=c1[nH]cnc2c1C(c1ccccc1)c1c(nc[nH]c1=O)O2
InChIInChI=1S/C15H10N4O3/c20-12-10-9(8-4-2-1-3-5-8)11-13(21)17-7-19-15(11)22-14(10)18-6-16-12/h1-7,9H,(H,16,18,20)(H,17,19,21)
InChIKeyUDZRRRRTMBRJHA-UHFFFAOYSA-N
XLogP1.14
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione?
The IUPAC name of 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione (CID 2920563) is 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione.
What is the SMILES notation for 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione?
The canonical SMILES for 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione is O=c1[nH]cnc2c1C(c1ccccc1)c1c(nc[nH]c1=O)O2.
What is the InChIKey of 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione?
The InChIKey is UDZRRRRTMBRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-12-10-9(8-4-2-1-3-5-8)11-13(21)17-7-19-15(11)22-14(10)18-6-16-12/h1-7,9H,(H,16,18,20)(H,17,19,21).
What are the key properties of 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione?
9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione has a molecular weight of 294.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,13-tetraene-7,11-dione is sourced from PubChem (CID 2920563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).