ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate

C22H22N2O5 — CID 39851086

IUPACethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(NC(=O)COc3ccccc3)cc2c1=O
InChIInChI=1S/C22H22N2O5/c1-3-24-13-18(22(27)28-4-2)21(26)17-12-15(10-11-19(17)24)23-20(25)14-29-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyUEOHAKLUCAZOBN-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.22
Rot. Bonds7

About ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate

ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate (PubChem CID 39851086) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
PubChem CID39851086
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nameethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(NC(=O)COc3ccccc3)cc2c1=O
InChIInChI=1S/C22H22N2O5/c1-3-24-13-18(22(27)28-4-2)21(26)17-12-15(10-11-19(17)24)23-20(25)14-29-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyUEOHAKLUCAZOBN-UHFFFAOYSA-N
XLogP3.22
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 3,5-bis[(2-phenoxyacetyl)amino]benzoate
CID 15008323
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
ethyl 1-ethyl-4-oxo-6-[(4-piperidin-1-ylsulfonylbenzoyl)amino]quinoline-3-carboxylate
CID 39851255
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
ethyl 5-acetamido-7-anilino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 167361045
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90793879
ethyl 3-benzoyl-1-ethylindole-5-carboxylate
CID 170857423
N-(3-hydroxy-4-methylphenyl)-2-phenoxyacetamide
CID 837184

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate (CID 39851086) is ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(NC(=O)COc3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate?
The InChIKey is UEOHAKLUCAZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-3-24-13-18(22(27)28-4-2)21(26)17-12-15(10-11-19(17)24)23-20(25)14-29-16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate?
ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 39851086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).