ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate

C20H18FNO4 — CID 69129154

IUPACethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(F)cc(Cc3ccc(OC)cc3)cc2c1=O
InChIInChI=1S/C20H18FNO4/c1-3-26-20(24)16-11-22-18-15(19(16)23)9-13(10-17(18)21)8-12-4-6-14(25-2)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)
InChIKeyLNAOQOWDCHQCRH-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.44
Rot. Bonds5

About ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate

ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 69129154) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID69129154
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Nameethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(F)cc(Cc3ccc(OC)cc3)cc2c1=O
InChIInChI=1S/C20H18FNO4/c1-3-26-20(24)16-11-22-18-15(19(16)23)9-13(10-17(18)21)8-12-4-6-14(25-2)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H,22,23)
InChIKeyLNAOQOWDCHQCRH-UHFFFAOYSA-N
XLogP3.44
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6,8-difluoro-7-[4-(4-methoxyphenyl)butyl]-4-oxo-1H-quinoline-3-carboxylate
CID 70459611
ethyl 8-fluoro-6-(2-hydroxyethylsulfanyl)-4-oxo-1H-quinoline-3-carboxylate
CID 18698543
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 15675226
CID 89301109
CID 89301109
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
1-(chloromethyl)-4-methoxybenzene;5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid;ethyl 5,8-difluoro-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate;ethyl 5,8-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 158803760
ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 171485774

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate (CID 69129154) is ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(F)cc(Cc3ccc(OC)cc3)cc2c1=O.
What is the InChIKey of ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is LNAOQOWDCHQCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-3-26-20(24)16-11-22-18-15(19(16)23)9-13(10-17(18)21)8-12-4-6-14(25-2)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H,22,23).
What are the key properties of ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate?
ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 69129154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).