ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate

C22H23NO6 — CID 86732827

IUPACethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(OCc3ccc(OC)cc3)c(O)c2c1=O
InChIInChI=1S/C22H23NO6/c1-4-23-12-16(22(26)28-5-2)20(24)19-17(23)10-11-18(21(19)25)29-13-14-6-8-15(27-3)9-7-14/h6-12,25H,4-5,13H2,1-3H3
InChIKeyMXACWEZZVLPCCK-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.49
Rot. Bonds7

About ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate

ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate (PubChem CID 86732827) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
PubChem CID86732827
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Nameethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(OCc3ccc(OC)cc3)c(O)c2c1=O
InChIInChI=1S/C22H23NO6/c1-4-23-12-16(22(26)28-5-2)20(24)19-17(23)10-11-18(21(19)25)29-13-14-6-8-15(27-3)9-7-14/h6-12,25H,4-5,13H2,1-3H3
InChIKeyMXACWEZZVLPCCK-UHFFFAOYSA-N
XLogP3.49
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-ethyl-5,6-dihydroxy-4-oxoquinoline-3-carboxylate
CID 86732826
ethyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;(4-methoxyphenyl)methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-8-[(4-methoxyphenyl)methoxy]-7-methyl-4-oxoquinoline-3-carboxylate
CID 159726939
1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
ethyl 2-bromo-5-[(4-methoxyphenyl)methoxy]-4-methylbenzoate
CID 58334561
ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
CID 71734506
5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
CID 86732765
ethyl 2-[2-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 11974612
diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate
CID 622237
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-5-methylsulfanylpyrrole-3-carboxylate
CID 151363085
ethyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate;methyl 1-ethyl-7,8-dihydroxy-4-oxoquinoline-3-carboxylate
CID 159602543
1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 86732810
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate (CID 86732827) is ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(OCc3ccc(OC)cc3)c(O)c2c1=O.
What is the InChIKey of ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate?
The InChIKey is MXACWEZZVLPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-4-23-12-16(22(26)28-5-2)20(24)19-17(23)10-11-18(21(19)25)29-13-14-6-8-15(27-3)9-7-14/h6-12,25H,4-5,13H2,1-3H3.
What are the key properties of ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate?
ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 86732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).