15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

C22H16N2O2 — CID 14459994

IUPAC15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ccccc1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H16N2O2/c25-21(23-16-9-2-1-3-10-16)19-17-11-6-8-15-13-14-7-4-5-12-18(14)24(20(15)17)22(19)26/h1-12,19H,13H2,(H,23,25)
InChIKeyBXDMMGLLWOKUHH-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.99
Rot. Bonds2

About 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide

15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (PubChem CID 14459994) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.

Molecular Properties

Compound Name15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
PubChem CID14459994
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide
SMILESO=C(Nc1ccccc1)C1C(=O)N2c3ccccc3Cc3cccc1c32
InChIInChI=1S/C22H16N2O2/c25-21(23-16-9-2-1-3-10-16)19-17-11-6-8-15-13-14-7-4-5-12-18(14)24(20(15)17)22(19)26/h1-12,19H,13H2,(H,23,25)
InChIKeyBXDMMGLLWOKUHH-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The IUPAC name of 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide (CID 14459994) is 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide.
What is the SMILES notation for 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The canonical SMILES for 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is O=C(Nc1ccccc1)C1C(=O)N2c3ccccc3Cc3cccc1c32.
What is the InChIKey of 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
The InChIKey is BXDMMGLLWOKUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-21(23-16-9-2-1-3-10-16)19-17-11-6-8-15-13-14-7-4-5-12-18(14)24(20(15)17)22(19)26/h1-12,19H,13H2,(H,23,25).
What are the key properties of 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide?
15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxo-N-phenyl-1-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12-hexaene-14-carboxamide is sourced from PubChem (CID 14459994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).