ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate

C14H16N2O4 — CID 10850045

IUPACethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N)c2ccc(OCC)cc2c1=O
InChIInChI=1S/C14H16N2O4/c1-3-19-9-5-6-12-10(7-9)13(17)11(8-16(12)15)14(18)20-4-2/h5-8H,3-4,15H2,1-2H3
InChIKeyJXYFKIJDKGYLCE-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.29
Rot. Bonds4

About ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate

ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate (PubChem CID 10850045) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
PubChem CID10850045
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(N)c2ccc(OCC)cc2c1=O
InChIInChI=1S/C14H16N2O4/c1-3-19-9-5-6-12-10(7-9)13(17)11(8-16(12)15)14(18)20-4-2/h5-8H,3-4,15H2,1-2H3
InChIKeyJXYFKIJDKGYLCE-UHFFFAOYSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90793879
6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
ethyl 15-ethoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
CID 138970459
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
CID 39851086
ethyl 6-bromo-4-oxo-1-(pyridin-4-ylmethyl)-1,7-naphthyridine-3-carboxylate
CID 87918839

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate (CID 10850045) is ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(N)c2ccc(OCC)cc2c1=O.
What is the InChIKey of ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate?
The InChIKey is JXYFKIJDKGYLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-19-9-5-6-12-10(7-9)13(17)11(8-16(12)15)14(18)20-4-2/h5-8H,3-4,15H2,1-2H3.
What are the key properties of ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate?
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 10850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).