[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate

C22H13N3O2 — CID 171978500

IUPAC[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
SMILESO=C(O/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1
InChIInChI=1S/C22H13N3O2/c26-22(14-8-2-1-3-9-14)27-25-20-16-11-5-4-10-15(16)19-21(20)24-18-13-7-6-12-17(18)23-19/h1-13H/b25-20-
InChIKeyOLMJHJKAFXXBRZ-QQTULTPQSA-N
MW351.37 g/mol
LogP4.22
Rot. Bonds2

About [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate

[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate (PubChem CID 171978500) has the molecular formula C22H13N3O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate.

Molecular Properties

Compound Name[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
PubChem CID171978500
Molecular FormulaC22H13N3O2
Molecular Weight351.37 g/mol
Exact Mass351.10
IUPAC Name[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
SMILESO=C(O/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1
InChIInChI=1S/C22H13N3O2/c26-22(14-8-2-1-3-9-14)27-25-20-16-11-5-4-10-15(16)19-21(20)24-18-13-7-6-12-17(18)23-19/h1-13H/b25-20-
InChIKeyOLMJHJKAFXXBRZ-QQTULTPQSA-N
XLogP4.22
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate?
The IUPAC name of [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate (CID 171978500) is [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate.
What is the SMILES notation for [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate?
The canonical SMILES for [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate is O=C(O/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1.
What is the InChIKey of [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate?
The InChIKey is OLMJHJKAFXXBRZ-QQTULTPQSA-N. The full InChI is InChI=1S/C22H13N3O2/c26-22(14-8-2-1-3-9-14)27-25-20-16-11-5-4-10-15(16)19-21(20)24-18-13-7-6-12-17(18)23-19/h1-13H/b25-20-.
What are the key properties of [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate?
[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate has a molecular weight of 351.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate is sourced from PubChem (CID 171978500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).