ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate

C22H19N3O3 — CID 3092862

IUPACethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2cc3ccccc3cc21
InChIInChI=1S/C22H19N3O3/c1-2-28-20(26)13-25-19-12-15-8-4-3-7-14(15)11-18(19)24-21(22(25)27)16-9-5-6-10-17(16)23/h3-12H,2,13,23H2,1H3
InChIKeyFKZCNSXFRCKVFS-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.36
Rot. Bonds4

About ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate

ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate (PubChem CID 3092862) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate
PubChem CID3092862
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Nameethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate
SMILESCCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2cc3ccccc3cc21
InChIInChI=1S/C22H19N3O3/c1-2-28-20(26)13-25-19-12-15-8-4-3-7-14(15)11-18(19)24-21(22(25)27)16-9-5-6-10-17(16)23/h3-12H,2,13,23H2,1H3
InChIKeyFKZCNSXFRCKVFS-UHFFFAOYSA-N
XLogP3.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate (CID 3092862) is ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate is CCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2cc3ccccc3cc21.
What is the InChIKey of ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate?
The InChIKey is FKZCNSXFRCKVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-28-20(26)13-25-19-12-15-8-4-3-7-14(15)11-18(19)24-21(22(25)27)16-9-5-6-10-17(16)23/h3-12H,2,13,23H2,1H3.
What are the key properties of ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate?
ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate has a molecular weight of 373.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-aminophenyl)-3-oxobenzo[g]quinoxalin-4-yl]acetate is sourced from PubChem (CID 3092862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).