ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate

C22H23NO5 — CID 46192775

IUPACethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(CC)c(OCCOc3ccccc3)cc2c1=O
InChIInChI=1S/C22H23NO5/c1-3-15-12-19-17(21(24)18(14-23-19)22(25)26-4-2)13-20(15)28-11-10-27-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyRQXFMGPYLVDNQB-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.72
Rot. Bonds8

About ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate

ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate (PubChem CID 46192775) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
PubChem CID46192775
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Nameethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2cc(CC)c(OCCOc3ccccc3)cc2c1=O
InChIInChI=1S/C22H23NO5/c1-3-15-12-19-17(21(24)18(14-23-19)22(25)26-4-2)13-20(15)28-11-10-27-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyRQXFMGPYLVDNQB-UHFFFAOYSA-N
XLogP3.72
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-methyl-6-[2-(2-methylphenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 46192913
ethyl 6-dodecoxy-4-oxo-7-phenyl-1H-quinoline-3-carboxylate
CID 141212218
ethyl 7-methoxy-6-[2-(2-methylphenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylate
CID 25105443
ethyl 6-dodecoxy-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141170084
ethyl 4-oxo-7-tetradecoxy-1H-quinoline-3-carboxylate
CID 154101984
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 6-(2-aminoethylsulfanyl)-7-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 69349601
ethyl 7-bromo-6-(4-bromophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284658
ethyl 7-chloro-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 1069432
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 7-bromo-6-(4-chlorophenoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 102284659
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate (CID 46192775) is ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2cc(CC)c(OCCOc3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
The InChIKey is RQXFMGPYLVDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-15-12-19-17(21(24)18(14-23-19)22(25)26-4-2)13-20(15)28-11-10-27-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,23,24).
What are the key properties of ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate?
ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-4-oxo-6-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 46192775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).