7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione

C17H9N3O3 — CID 71175530

IUPAC7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
SMILESO=C1NC(=O)c2cc3ccoc3c3cc(-n4ccnc4)cc1c23
InChIInChI=1S/C17H9N3O3/c21-16-12-5-9-1-4-23-15(9)11-6-10(20-3-2-18-8-20)7-13(14(11)12)17(22)19-16/h1-8H,(H,19,21,22)
InChIKeyZAWQELHLNFEMQD-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.66
Rot. Bonds1

About 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione

7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione (PubChem CID 71175530) has the molecular formula C17H9N3O3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione.

Molecular Properties

Compound Name7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
PubChem CID71175530
Molecular FormulaC17H9N3O3
Molecular Weight303.28 g/mol
Exact Mass303.06
IUPAC Name7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione
SMILESO=C1NC(=O)c2cc3ccoc3c3cc(-n4ccnc4)cc1c23
InChIInChI=1S/C17H9N3O3/c21-16-12-5-9-1-4-23-15(9)11-6-10(20-3-2-18-8-20)7-13(14(11)12)17(22)19-16/h1-8H,(H,19,21,22)
InChIKeyZAWQELHLNFEMQD-UHFFFAOYSA-N
XLogP2.66
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The IUPAC name of 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione (CID 71175530) is 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione.
What is the SMILES notation for 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The canonical SMILES for 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione is O=C1NC(=O)c2cc3ccoc3c3cc(-n4ccnc4)cc1c23.
What is the InChIKey of 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
The InChIKey is ZAWQELHLNFEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3O3/c21-16-12-5-9-1-4-23-15(9)11-6-10(20-3-2-18-8-20)7-13(14(11)12)17(22)19-16/h1-8H,(H,19,21,22).
What are the key properties of 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione?
7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione has a molecular weight of 303.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-11-oxa-3-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(16),5,7,9,12,14-hexaene-2,4-dione is sourced from PubChem (CID 71175530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).