12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one

C15H14N4O2 — CID 156562180

IUPAC12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one
SMILESO=C1CCC2CNc3nnc(-c4ccccc4O)cc3N12
InChIInChI=1S/C15H14N4O2/c20-13-4-2-1-3-10(13)11-7-12-15(18-17-11)16-8-9-5-6-14(21)19(9)12/h1-4,7,9,20H,5-6,8H2,(H,16,18)
InChIKeyJBFJASBYFGFQHC-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.77
Rot. Bonds1

About 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one

12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one (PubChem CID 156562180) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one.

Molecular Properties

Compound Name12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one
PubChem CID156562180
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one
SMILESO=C1CCC2CNc3nnc(-c4ccccc4O)cc3N12
InChIInChI=1S/C15H14N4O2/c20-13-4-2-1-3-10(13)11-7-12-15(18-17-11)16-8-9-5-6-14(21)19(9)12/h1-4,7,9,20H,5-6,8H2,(H,16,18)
InChIKeyJBFJASBYFGFQHC-UHFFFAOYSA-N
XLogP1.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one?
The IUPAC name of 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one (CID 156562180) is 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one.
What is the SMILES notation for 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one?
The canonical SMILES for 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one is O=C1CCC2CNc3nnc(-c4ccccc4O)cc3N12.
What is the InChIKey of 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one?
The InChIKey is JBFJASBYFGFQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-13-4-2-1-3-10(13)11-7-12-15(18-17-11)16-8-9-5-6-14(21)19(9)12/h1-4,7,9,20H,5-6,8H2,(H,16,18).
What are the key properties of 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one?
12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one has a molecular weight of 282.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-hydroxyphenyl)-2,8,10,11-tetrazatricyclo[7.4.0.02,6]trideca-1(13),9,11-trien-3-one is sourced from PubChem (CID 156562180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).