ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate

C15H19N3O2 — CID 62358589

IUPACethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-3-9-18(11-15(19)20-4-2)14-10-16-12-7-5-6-8-13(12)17-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyZDYMHNQYWLKKGG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.41
Rot. Bonds6

About ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate

ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate (PubChem CID 62358589) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
PubChem CID62358589
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-[propyl(quinoxalin-2-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1cnc2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-3-9-18(11-15(19)20-4-2)14-10-16-12-7-5-6-8-13(12)17-14/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyZDYMHNQYWLKKGG-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1,2,4-benzotriazin-3-yl(propyl)amino]acetate
CID 103204951
2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
ethyl 2-[(5-methyl-4-nitro-2-pyridinyl)-propylamino]acetate
CID 83271526
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
ethyl quinoxaline-2-carboxylate
CID 582701
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
ethyl 3-(quinoxalin-2-ylamino)propanoate
CID 47439650
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
ethyl 2-[propan-2-yl(quinazolin-2-yl)amino]acetate
CID 114789698
ethyl 2-[ethyl-(2-phenylpyrimidin-4-yl)amino]acetate
CID 71845196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate (CID 62358589) is ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate is CCCN(CC(=O)OCC)c1cnc2ccccc2n1.
What is the InChIKey of ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate?
The InChIKey is ZDYMHNQYWLKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-9-18(11-15(19)20-4-2)14-10-16-12-7-5-6-8-13(12)17-14/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate?
ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate has a molecular weight of 273.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(quinoxalin-2-yl)amino]acetate is sourced from PubChem (CID 62358589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).