7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one

C22H18F2N2O2 — CID 15808261

IUPAC7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one
SMILESCCN(CC)c1ccc2nc3c(F)c(-c4ccccc4)c(=O)c(F)c-3oc2c1
InChIInChI=1S/C22H18F2N2O2/c1-3-26(4-2)14-10-11-15-16(12-14)28-22-19(24)21(27)17(18(23)20(22)25-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyZVJAYGPAOSPRIN-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.08
Rot. Bonds4

About 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one

7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one (PubChem CID 15808261) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one.

Molecular Properties

Compound Name7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one
PubChem CID15808261
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one
SMILESCCN(CC)c1ccc2nc3c(F)c(-c4ccccc4)c(=O)c(F)c-3oc2c1
InChIInChI=1S/C22H18F2N2O2/c1-3-26(4-2)14-10-11-15-16(12-14)28-22-19(24)21(27)17(18(23)20(22)25-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3
InChIKeyZVJAYGPAOSPRIN-UHFFFAOYSA-N
XLogP5.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one?
The IUPAC name of 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one (CID 15808261) is 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one.
What is the SMILES notation for 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one?
The canonical SMILES for 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one is CCN(CC)c1ccc2nc3c(F)c(-c4ccccc4)c(=O)c(F)c-3oc2c1.
What is the InChIKey of 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one?
The InChIKey is ZVJAYGPAOSPRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-3-26(4-2)14-10-11-15-16(12-14)28-22-19(24)21(27)17(18(23)20(22)25-15)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one?
7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one has a molecular weight of 380.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-1,4-difluoro-2-phenylphenoxazin-3-one is sourced from PubChem (CID 15808261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).