ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate

C16H15F2NO4 — CID 77257437

IUPACethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2F)c2c(C)c(F)cc(O)c2c1=O
InChIInChI=1S/C16H15F2NO4/c1-3-23-16(22)8-6-19(11-4-10(11)18)14-7(2)9(17)5-12(20)13(14)15(8)21/h5-6,10-11,20H,3-4H2,1-2H3
InChIKeyLTJIVGAFBCOJHD-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.61
Rot. Bonds3

About ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate

ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 77257437) has the molecular formula C16H15F2NO4 and a molecular weight of 323.30 g/mol. Its IUPAC name is ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate
PubChem CID77257437
Molecular FormulaC16H15F2NO4
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Nameethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(C2CC2F)c2c(C)c(F)cc(O)c2c1=O
InChIInChI=1S/C16H15F2NO4/c1-3-23-16(22)8-6-19(11-4-10(11)18)14-7(2)9(17)5-12(20)13(14)15(8)21/h5-6,10-11,20H,3-4H2,1-2H3
InChIKeyLTJIVGAFBCOJHD-UHFFFAOYSA-N
XLogP2.61
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271541
ethyl 5,6,7,8-tetrafluoro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 67771319
ethyl 6,7-difluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114932
ethyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114933
ethyl 8-cyano-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 59306516
ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 67270782
ethyl 6-amino-7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylate
CID 67271602
diethyl 1-cyclopropyl-5,7,8-trifluoro-4-oxoquinoline-3,6-dicarboxylate
CID 10524013
ethyl 8-cyano-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate;ethyl 3-(3-cyano-2,4,5-trifluorophenyl)-3-oxopropanoate
CID 160588884
3-acetyl-5-amino-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-7-methylquinolin-4-one
CID 54221242
ethyl 1-cyclopropyl-5-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 23359004
ethyl 5-amino-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 14127986

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate (CID 77257437) is ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2F)c2c(C)c(F)cc(O)c2c1=O.
What is the InChIKey of ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is LTJIVGAFBCOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4/c1-3-23-16(22)8-6-19(11-4-10(11)18)14-7(2)9(17)5-12(20)13(14)15(8)21/h5-6,10-11,20H,3-4H2,1-2H3.
What are the key properties of ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate?
ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 77257437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).