(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine

C22H15N3O — CID 155519391

IUPAC(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine
SMILESc1ccc(CO/N=C2\c3ccccc3-c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H15N3O/c1-2-8-15(9-3-1)14-26-25-21-17-11-5-4-10-16(17)20-22(21)24-19-13-7-6-12-18(19)23-20/h1-13H,14H2/b25-21+
InChIKeyOLHDCSPOWPUXSJ-NJNXFGOHSA-N
MW337.38 g/mol
LogP4.58
Rot. Bonds3

About (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine

(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine (PubChem CID 155519391) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine.

Molecular Properties

Compound Name(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine
PubChem CID155519391
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine
SMILESc1ccc(CO/N=C2\c3ccccc3-c3nc4ccccc4nc32)cc1
InChIInChI=1S/C22H15N3O/c1-2-8-15(9-3-1)14-26-25-21-17-11-5-4-10-16(17)20-22(21)24-19-13-7-6-12-18(19)23-20/h1-13H,14H2/b25-21+
InChIKeyOLHDCSPOWPUXSJ-NJNXFGOHSA-N
XLogP4.58
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine?
The IUPAC name of (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine (CID 155519391) is (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine.
What is the SMILES notation for (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine?
The canonical SMILES for (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine is c1ccc(CO/N=C2\c3ccccc3-c3nc4ccccc4nc32)cc1.
What is the InChIKey of (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine?
The InChIKey is OLHDCSPOWPUXSJ-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H15N3O/c1-2-8-15(9-3-1)14-26-25-21-17-11-5-4-10-16(17)20-22(21)24-19-13-7-6-12-18(19)23-20/h1-13H,14H2/b25-21+.
What are the key properties of (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine?
(E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine has a molecular weight of 337.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxyindeno[1,2-b]quinoxalin-11-imine is sourced from PubChem (CID 155519391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).