6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione

C14H8N2O3 — CID 44576110

IUPAC6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
SMILESO=c1ccc2c3ccn(O)c4ccc(=O)n(c2c1)c34
InChIInChI=1S/C14H8N2O3/c17-8-1-2-9-10-5-6-15(19)11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,19H
InChIKeyUBJWSGYNPBTZIE-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.44
Rot. Bonds

About 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione

6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione (PubChem CID 44576110) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione.

Molecular Properties

Compound Name6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
PubChem CID44576110
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione
SMILESO=c1ccc2c3ccn(O)c4ccc(=O)n(c2c1)c34
InChIInChI=1S/C14H8N2O3/c17-8-1-2-9-10-5-6-15(19)11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,19H
InChIKeyUBJWSGYNPBTZIE-UHFFFAOYSA-N
XLogP1.44
TPSA63.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione?
The IUPAC name of 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione (CID 44576110) is 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione.
What is the SMILES notation for 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione?
The canonical SMILES for 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione is O=c1ccc2c3ccn(O)c4ccc(=O)n(c2c1)c34.
What is the InChIKey of 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione?
The InChIKey is UBJWSGYNPBTZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c17-8-1-2-9-10-5-6-15(19)11-3-4-13(18)16(14(10)11)12(9)7-8/h1-7,19H.
What are the key properties of 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione?
6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione has a molecular weight of 252.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,11,14-hexaene-2,13-dione is sourced from PubChem (CID 44576110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).