(8-acetyloxyquinoxalin-5-yl) acetate

C12H10N2O4 — CID 119081746

IUPAC(8-acetyloxyquinoxalin-5-yl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2nccnc12
InChIInChI=1S/C12H10N2O4/c1-7(15)17-9-3-4-10(18-8(2)16)12-11(9)13-5-6-14-12/h3-6H,1-2H3
InChIKeyFNTJLQCPDZDQOC-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.48
Rot. Bonds2

About (8-acetyloxyquinoxalin-5-yl) acetate

(8-acetyloxyquinoxalin-5-yl) acetate (PubChem CID 119081746) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is (8-acetyloxyquinoxalin-5-yl) acetate.

Molecular Properties

Compound Name(8-acetyloxyquinoxalin-5-yl) acetate
PubChem CID119081746
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name(8-acetyloxyquinoxalin-5-yl) acetate
SMILESCC(=O)Oc1ccc(OC(C)=O)c2nccnc12
InChIInChI=1S/C12H10N2O4/c1-7(15)17-9-3-4-10(18-8(2)16)12-11(9)13-5-6-14-12/h3-6H,1-2H3
InChIKeyFNTJLQCPDZDQOC-UHFFFAOYSA-N
XLogP1.48
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-chloroquinolin-8-yl) acetate
CID 175576508
(9-acetyloxyphenazin-1-yl) acetate
CID 611384
hydron;quinazolin-8-yl acetate
CID 174628972
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346
(6-methylphenazin-1-yl) acetate
CID 610919
(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
(5,6-difluoroquinolin-4-yl) acetate
CID 150786200
(5-iodoisoquinolin-8-yl) acetate
CID 91621546
trimethylsilyl 4-acetyloxy-3-methylbenzoate
CID 91734163
(2-acetyloxybenzene-4-id-1-yl) acetate;yttrium
CID 59925093

Frequently Asked Questions

What is the IUPAC name of (8-acetyloxyquinoxalin-5-yl) acetate?
The IUPAC name of (8-acetyloxyquinoxalin-5-yl) acetate (CID 119081746) is (8-acetyloxyquinoxalin-5-yl) acetate.
What is the SMILES notation for (8-acetyloxyquinoxalin-5-yl) acetate?
The canonical SMILES for (8-acetyloxyquinoxalin-5-yl) acetate is CC(=O)Oc1ccc(OC(C)=O)c2nccnc12.
What is the InChIKey of (8-acetyloxyquinoxalin-5-yl) acetate?
The InChIKey is FNTJLQCPDZDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-7(15)17-9-3-4-10(18-8(2)16)12-11(9)13-5-6-14-12/h3-6H,1-2H3.
What are the key properties of (8-acetyloxyquinoxalin-5-yl) acetate?
(8-acetyloxyquinoxalin-5-yl) acetate has a molecular weight of 246.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxyquinoxalin-5-yl) acetate is sourced from PubChem (CID 119081746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).