2-amino-7-(diethylamino)phenoxazin-3-one

C16H17N3O2 — CID 132509564

IUPAC2-amino-7-(diethylamino)phenoxazin-3-one
SMILESCCN(CC)c1ccc2nc3cc(N)c(=O)cc-3oc2c1
InChIInChI=1S/C16H17N3O2/c1-3-19(4-2)10-5-6-12-15(7-10)21-16-9-14(20)11(17)8-13(16)18-12/h5-9H,3-4,17H2,1-2H3
InChIKeyVRPXWWJUCLIQPX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-7-(diethylamino)phenoxazin-3-one

2-amino-7-(diethylamino)phenoxazin-3-one (PubChem CID 132509564) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-7-(diethylamino)phenoxazin-3-one.

Molecular Properties

Compound Name2-amino-7-(diethylamino)phenoxazin-3-one
PubChem CID132509564
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-7-(diethylamino)phenoxazin-3-one
SMILESCCN(CC)c1ccc2nc3cc(N)c(=O)cc-3oc2c1
InChIInChI=1S/C16H17N3O2/c1-3-19(4-2)10-5-6-12-15(7-10)21-16-9-14(20)11(17)8-13(16)18-12/h5-9H,3-4,17H2,1-2H3
InChIKeyVRPXWWJUCLIQPX-UHFFFAOYSA-N
XLogP2.72
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[7-(diethylamino)phenoxazin-3-ylidene]-bis(2-hydroxyethyl)azanium
CID 59653482
2-[2-(1-butylpyridin-1-ium-2-yl)ethenyl]-7-(diethylamino)phenoxazin-3-one
CID 175767195
N,N-diethyl-7-phenyliminophenoxazin-3-amine
CID 22950317
dibutyl-[7-(diethylamino)phenoxazin-3-ylidene]azanium perchlorate
CID 11554773
2-[2-(3-aminophenyl)ethynyl]-9-(diethylamino)benzo[a]phenoxazin-5-one
CID 153356345
4-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-3-yl]benzonitrile
CID 153356351
2-amino-8-chlorophenoxazin-3-one
CID 16754839
3-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]prop-2-ynenitrile;ethane
CID 144768606
N-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-1-yl]acetamide
CID 20688806
[7-(diethylamino)phenoxazin-3-ylidene]-ethyl-propylazanium perchlorate
CID 158420932
4-[2-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]ethynyl]benzene-1,2-dicarboxamide
CID 101460651
zinc;[7-[2-cyanoethyl(ethyl)amino]-2-methylphenoxazin-3-ylidene]-ethyl-methylazanium;tetrachloride
CID 170853538

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(diethylamino)phenoxazin-3-one?
The IUPAC name of 2-amino-7-(diethylamino)phenoxazin-3-one (CID 132509564) is 2-amino-7-(diethylamino)phenoxazin-3-one.
What is the SMILES notation for 2-amino-7-(diethylamino)phenoxazin-3-one?
The canonical SMILES for 2-amino-7-(diethylamino)phenoxazin-3-one is CCN(CC)c1ccc2nc3cc(N)c(=O)cc-3oc2c1.
What is the InChIKey of 2-amino-7-(diethylamino)phenoxazin-3-one?
The InChIKey is VRPXWWJUCLIQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19(4-2)10-5-6-12-15(7-10)21-16-9-14(20)11(17)8-13(16)18-12/h5-9H,3-4,17H2,1-2H3.
What are the key properties of 2-amino-7-(diethylamino)phenoxazin-3-one?
2-amino-7-(diethylamino)phenoxazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(diethylamino)phenoxazin-3-one is sourced from PubChem (CID 132509564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).