12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione

C15H10N4O3 — CID 156562164

IUPAC12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione
SMILESO=C1NCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O
InChIInChI=1S/C15H10N4O3/c20-11-4-2-1-3-7(11)10-5-8-12-9(6-16-15(12)22)14(21)17-13(8)19-18-10/h1-5,20H,6H2,(H,16,22)(H,17,19,21)
InChIKeyGUUHQFVRBHNEHM-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.93
Rot. Bonds1

About 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione

12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione (PubChem CID 156562164) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione.

Molecular Properties

Compound Name12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione
PubChem CID156562164
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione
SMILESO=C1NCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O
InChIInChI=1S/C15H10N4O3/c20-11-4-2-1-3-7(11)10-5-8-12-9(6-16-15(12)22)14(21)17-13(8)19-18-10/h1-5,20H,6H2,(H,16,22)(H,17,19,21)
InChIKeyGUUHQFVRBHNEHM-UHFFFAOYSA-N
XLogP0.93
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione?
The IUPAC name of 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione (CID 156562164) is 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione.
What is the SMILES notation for 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione?
The canonical SMILES for 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione is O=C1NCc2c1c1cc(-c3ccccc3O)nnc1[nH]c2=O.
What is the InChIKey of 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione?
The InChIKey is GUUHQFVRBHNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-11-4-2-1-3-7(11)10-5-8-12-9(6-16-15(12)22)14(21)17-13(8)19-18-10/h1-5,20H,6H2,(H,16,22)(H,17,19,21).
What are the key properties of 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione?
12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione has a molecular weight of 294.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-hydroxyphenyl)-4,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),9,11-tetraene-3,7-dione is sourced from PubChem (CID 156562164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).