ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate

C20H19NO5 — CID 19914495

IUPACethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OC)cc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO5/c1-3-25-20(23)16-11-21-18-15(19(16)22)9-14(10-17(18)24-2)26-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyWTGBIXYQOPFFAP-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.29
Rot. Bonds6

About ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate

ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate (PubChem CID 19914495) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
PubChem CID19914495
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OC)cc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO5/c1-3-25-20(23)16-11-21-18-15(19(16)22)9-14(10-17(18)24-2)26-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyWTGBIXYQOPFFAP-UHFFFAOYSA-N
XLogP3.29
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
8-methoxy-6-phenylmethoxy-1H-quinolin-4-one
CID 15675252
ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
ethyl 4-oxo-6-phenylmethoxy-1H-1,5-naphthyridine-3-carboxylate
CID 561266
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 69129154
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate (CID 19914495) is ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(OC)cc(OCc3ccccc3)cc2c1=O.
What is the InChIKey of ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The InChIKey is WTGBIXYQOPFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-25-20(23)16-11-21-18-15(19(16)22)9-14(10-17(18)24-2)26-12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate is sourced from PubChem (CID 19914495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).