(9-acetyloxyphenazin-1-yl) acetate

C16H12N2O4 — CID 611384

IUPAC(9-acetyloxyphenazin-1-yl) acetate
SMILESCC(=O)Oc1cccc2nc3cccc(OC(C)=O)c3nc12
InChIInChI=1S/C16H12N2O4/c1-9(19)21-13-7-3-5-11-15(13)18-16-12(17-11)6-4-8-14(16)22-10(2)20/h3-8H,1-2H3
InChIKeyQEVBHPRYGMAAEO-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.63
Rot. Bonds2

About (9-acetyloxyphenazin-1-yl) acetate

(9-acetyloxyphenazin-1-yl) acetate (PubChem CID 611384) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is (9-acetyloxyphenazin-1-yl) acetate.

Molecular Properties

Compound Name(9-acetyloxyphenazin-1-yl) acetate
PubChem CID611384
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name(9-acetyloxyphenazin-1-yl) acetate
SMILESCC(=O)Oc1cccc2nc3cccc(OC(C)=O)c3nc12
InChIInChI=1S/C16H12N2O4/c1-9(19)21-13-7-3-5-11-15(13)18-16-12(17-11)6-4-8-14(16)22-10(2)20/h3-8H,1-2H3
InChIKeyQEVBHPRYGMAAEO-UHFFFAOYSA-N
XLogP2.63
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-methylphenazin-1-yl) acetate
CID 610919
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
acetic acid;1-methoxyphenazine
CID 174937212
hydron;quinazolin-8-yl acetate
CID 174628972
(2-propan-2-ylquinolin-8-yl) acetate
CID 134285695
(2,3-dichloroquinoxalin-5-yl) carbonochloridate
CID 88766186
1,9-diethoxyphenazine
CID 71668489
2,6-diacetyloxybenzoic acid
CID 10007406
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
[2-(trifluoromethyl)-1H-benzimidazol-4-yl] acetate
CID 76845861
(2,3-dimethylindazol-7-yl) acetate
CID 176566350

Frequently Asked Questions

What is the IUPAC name of (9-acetyloxyphenazin-1-yl) acetate?
The IUPAC name of (9-acetyloxyphenazin-1-yl) acetate (CID 611384) is (9-acetyloxyphenazin-1-yl) acetate.
What is the SMILES notation for (9-acetyloxyphenazin-1-yl) acetate?
The canonical SMILES for (9-acetyloxyphenazin-1-yl) acetate is CC(=O)Oc1cccc2nc3cccc(OC(C)=O)c3nc12.
What is the InChIKey of (9-acetyloxyphenazin-1-yl) acetate?
The InChIKey is QEVBHPRYGMAAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-9(19)21-13-7-3-5-11-15(13)18-16-12(17-11)6-4-8-14(16)22-10(2)20/h3-8H,1-2H3.
What are the key properties of (9-acetyloxyphenazin-1-yl) acetate?
(9-acetyloxyphenazin-1-yl) acetate has a molecular weight of 296.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-acetyloxyphenazin-1-yl) acetate is sourced from PubChem (CID 611384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).