quinoxalino[2,3-a]phenazin-3-yl acetate

C20H12N4O2 — CID 15249326

IUPACquinoxalino[2,3-a]phenazin-3-yl acetate
SMILESCC(=O)Oc1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1
InChIInChI=1S/C20H12N4O2/c1-11(25)26-12-6-7-15-18(10-12)22-17-9-8-16-19(20(17)24-15)23-14-5-3-2-4-13(14)21-16/h2-10H,1H3
InChIKeySFKUTDXSBUVUTR-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.80
Rot. Bonds1

About quinoxalino[2,3-a]phenazin-3-yl acetate

quinoxalino[2,3-a]phenazin-3-yl acetate (PubChem CID 15249326) has the molecular formula C20H12N4O2 and a molecular weight of 340.34 g/mol. Its IUPAC name is quinoxalino[2,3-a]phenazin-3-yl acetate.

Molecular Properties

Compound Namequinoxalino[2,3-a]phenazin-3-yl acetate
PubChem CID15249326
Molecular FormulaC20H12N4O2
Molecular Weight340.34 g/mol
Exact Mass340.10
IUPAC Namequinoxalino[2,3-a]phenazin-3-yl acetate
SMILESCC(=O)Oc1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1
InChIInChI=1S/C20H12N4O2/c1-11(25)26-12-6-7-15-18(10-12)22-17-9-8-16-19(20(17)24-15)23-14-5-3-2-4-13(14)21-16/h2-10H,1H3
InChIKeySFKUTDXSBUVUTR-UHFFFAOYSA-N
XLogP3.80
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.80
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(9-acetyloxyphenazin-2-yl) acetate
CID 611477
(4-acridin-2-ylphenyl) acetate
CID 139787124
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
(2-methylquinolin-7-yl) acetate
CID 119085937
(9-acetyloxyphenazin-1-yl) acetate
CID 611384
2-phenazin-2-yloxyacetic acid
CID 97034009
(2-chloroquinolin-7-yl) acetate
CID 174716501
[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
CID 22765476
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
[2-(2,2-dimethylpropyl)quinoxalin-6-yl] acetate
CID 70251042
triphenylen-2-yl acetate;hydrochloride
CID 142787711
(4-ethenyl-3-hydroxyphenyl) acetate
CID 130034523

Frequently Asked Questions

What is the IUPAC name of quinoxalino[2,3-a]phenazin-3-yl acetate?
The IUPAC name of quinoxalino[2,3-a]phenazin-3-yl acetate (CID 15249326) is quinoxalino[2,3-a]phenazin-3-yl acetate.
What is the SMILES notation for quinoxalino[2,3-a]phenazin-3-yl acetate?
The canonical SMILES for quinoxalino[2,3-a]phenazin-3-yl acetate is CC(=O)Oc1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1.
What is the InChIKey of quinoxalino[2,3-a]phenazin-3-yl acetate?
The InChIKey is SFKUTDXSBUVUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2/c1-11(25)26-12-6-7-15-18(10-12)22-17-9-8-16-19(20(17)24-15)23-14-5-3-2-4-13(14)21-16/h2-10H,1H3.
What are the key properties of quinoxalino[2,3-a]phenazin-3-yl acetate?
quinoxalino[2,3-a]phenazin-3-yl acetate has a molecular weight of 340.34 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalino[2,3-a]phenazin-3-yl acetate is sourced from PubChem (CID 15249326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).