2-(2-oxoquinoxalin-1-yl)ethyl acetate

C12H12N2O3 — CID 175088435

IUPAC2-(2-oxoquinoxalin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H12N2O3/c1-9(15)17-7-6-14-11-5-3-2-4-10(11)13-8-12(14)16/h2-5,8H,6-7H2,1H3
InChIKeyKSLDUXKXXHQUFH-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.96
Rot. Bonds3

About 2-(2-oxoquinoxalin-1-yl)ethyl acetate

2-(2-oxoquinoxalin-1-yl)ethyl acetate (PubChem CID 175088435) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(2-oxoquinoxalin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-oxoquinoxalin-1-yl)ethyl acetate
PubChem CID175088435
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(2-oxoquinoxalin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H12N2O3/c1-9(15)17-7-6-14-11-5-3-2-4-10(11)13-8-12(14)16/h2-5,8H,6-7H2,1H3
InChIKeyKSLDUXKXXHQUFH-UHFFFAOYSA-N
XLogP0.96
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
2,2-dimethyl-4-(2-oxoquinoxalin-1-yl)butanethioamide
CID 65248642
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951
2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
CID 17228782
1-(fluoromethyl)quinoxalin-2-one
CID 140968709
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
ethyl (E)-4-(2-oxoquinoxalin-1-yl)but-2-enoate
CID 80546059
N-[(2R)-1-methoxypropan-2-yl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2509253
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoquinoxalin-1-yl)ethyl acetate?
The IUPAC name of 2-(2-oxoquinoxalin-1-yl)ethyl acetate (CID 175088435) is 2-(2-oxoquinoxalin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2-oxoquinoxalin-1-yl)ethyl acetate?
The canonical SMILES for 2-(2-oxoquinoxalin-1-yl)ethyl acetate is CC(=O)OCCn1c(=O)cnc2ccccc21.
What is the InChIKey of 2-(2-oxoquinoxalin-1-yl)ethyl acetate?
The InChIKey is KSLDUXKXXHQUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9(15)17-7-6-14-11-5-3-2-4-10(11)13-8-12(14)16/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-oxoquinoxalin-1-yl)ethyl acetate?
2-(2-oxoquinoxalin-1-yl)ethyl acetate has a molecular weight of 232.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoquinoxalin-1-yl)ethyl acetate is sourced from PubChem (CID 175088435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).