6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone

C14H10N2O4 — CID 70840278

IUPAC6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone
SMILESO=C1NC(=O)C2C=CC3C(=O)NC(=O)C4=CC=C1C2C43
InChIInChI=1S/C14H10N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-6,9-10H,(H,15,17,19)(H,16,18,20)
InChIKeyUCVVHIAZPJNMKD-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.80
Rot. Bonds

About 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone

6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone (PubChem CID 70840278) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone
PubChem CID70840278
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone
SMILESO=C1NC(=O)C2C=CC3C(=O)NC(=O)C4=CC=C1C2C43
InChIInChI=1S/C14H10N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-6,9-10H,(H,15,17,19)(H,16,18,20)
InChIKeyUCVVHIAZPJNMKD-UHFFFAOYSA-N
XLogP-0.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone?
The IUPAC name of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone (CID 70840278) is 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone is O=C1NC(=O)C2C=CC3C(=O)NC(=O)C4=CC=C1C2C43.
What is the InChIKey of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone?
The InChIKey is UCVVHIAZPJNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-6,9-10H,(H,15,17,19)(H,16,18,20).
What are the key properties of 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone?
6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone has a molecular weight of 270.24 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,9-triene-5,7,12,14-tetrone is sourced from PubChem (CID 70840278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).