ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate

C20H26N4O6 — CID 90793879

IUPACethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(OCCOCCOCCN=[N+]=[N-])cc2c1=O
InChIInChI=1S/C20H26N4O6/c1-3-24-14-17(20(26)29-4-2)19(25)16-13-15(5-6-18(16)24)30-12-11-28-10-9-27-8-7-22-23-21/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyBFSZNDMJDATJAL-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.92
Rot. Bonds13

About ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate

ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate (PubChem CID 90793879) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
PubChem CID90793879
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Nameethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(OCCOCCOCCN=[N+]=[N-])cc2c1=O
InChIInChI=1S/C20H26N4O6/c1-3-24-14-17(20(26)29-4-2)19(25)16-13-15(5-6-18(16)24)30-12-11-28-10-9-27-8-7-22-23-21/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyBFSZNDMJDATJAL-UHFFFAOYSA-N
XLogP2.92
TPSA124.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-1-ethyl-4-oxoquinoline-3-carboxylate
CID 90876719
ethyl 1-ethyl-6-[(E)-2-[2-(2-hydroxyethoxy)ethoxy]ethenyl]-4-oxoquinoline-3-carboxylate
CID 68800282
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 1-ethyl-4-oxo-6-[(2-phenoxyacetyl)amino]quinoline-3-carboxylate
CID 39851086
ethyl 1-ethyl-5,6-dihydroxy-4-oxoquinoline-3-carboxylate
CID 86732826
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
ethyl 1-ethyl-6-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-4-oxoquinoline-3-carboxylate
CID 127042016
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
CID 68861402
CID 68861402
ethyl 6-chloro-7-cyano-1-ethyl-4-oxoquinoline-3-carboxylate
CID 15050577

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate (CID 90793879) is ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(OCCOCCOCCN=[N+]=[N-])cc2c1=O.
What is the InChIKey of ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate?
The InChIKey is BFSZNDMJDATJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-3-24-14-17(20(26)29-4-2)19(25)16-13-15(5-6-18(16)24)30-12-11-28-10-9-27-8-7-22-23-21/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate?
ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate has a molecular weight of 418.45 g/mol, XLogP of 2.92, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-1-ethyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 90793879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).