ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate

C20H25NO6 — CID 68800282

IUPACethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(/C=C/OCCOCCO)cc2c1=O
InChIInChI=1S/C20H25NO6/c1-3-21-14-17(20(24)27-4-2)19(23)16-13-15(5-6-18(16)21)7-9-25-11-12-26-10-8-22/h5-7,9,13-14,22H,3-4,8,10-12H2,1-2H3/b9-7+
InChIKeyYFASGCVJIBXYSR-VQHVLOKHSA-N
MW375.42 g/mol
LogP2.19
Rot. Bonds10

About ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate (PubChem CID 68800282) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate
PubChem CID68800282
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Nameethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(/C=C/OCCOCCO)cc2c1=O
InChIInChI=1S/C20H25NO6/c1-3-21-14-17(20(24)27-4-2)19(23)16-13-15(5-6-18(16)21)7-9-25-11-12-26-10-8-22/h5-7,9,13-14,22H,3-4,8,10-12H2,1-2H3/b9-7+
InChIKeyYFASGCVJIBXYSR-VQHVLOKHSA-N
XLogP2.19
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-ethyl-6-[(E)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]prop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 57402914
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90793879
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90876719
1-ethyl-6-[3-(2-hydroxyethoxy)propyl]-4-oxoquinoline-3-carboxylic acid
CID 59864149
ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
6-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 59819428
ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate
CID 127042016
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577
ethyl 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
CID 39851086
ethyl 6-iodo-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxylate
CID 59415779

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate (CID 68800282) is ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(/C=C/OCCOCCO)cc2c1=O.
What is the InChIKey of ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is YFASGCVJIBXYSR-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H25NO6/c1-3-21-14-17(20(24)27-4-2)19(23)16-13-15(5-6-18(16)21)7-9-25-11-12-26-10-8-22/h5-7,9,13-14,22H,3-4,8,10-12H2,1-2H3/b9-7+.
What are the key properties of ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 68800282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).