ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate

C15H12Cl2FNO3 — CID 67270782

IUPACethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(Cl)c(Cl)ccc2c1=O
InChIInChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)8-6-19(11-5-10(11)18)13-7(14(8)20)3-4-9(16)12(13)17/h3-4,6,10-11H,2,5H2,1H3/t10-,11-/m1/s1
InChIKeyMRBJMXPMWXRTBD-GHMZBOCLSA-N
MW344.17 g/mol
LogP3.77
Rot. Bonds3

About ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate

ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate (PubChem CID 67270782) has the molecular formula C15H12Cl2FNO3 and a molecular weight of 344.17 g/mol. Its IUPAC name is ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
PubChem CID67270782
Molecular FormulaC15H12Cl2FNO3
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Nameethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(Cl)c(Cl)ccc2c1=O
InChIInChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)8-6-19(11-5-10(11)18)13-7(14(8)20)3-4-9(16)12(13)17/h3-4,6,10-11H,2,5H2,1H3/t10-,11-/m1/s1
InChIKeyMRBJMXPMWXRTBD-GHMZBOCLSA-N
XLogP3.77
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

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-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 5,6,7,8-tetrafluoro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 67771319
ethyl 8-cyano-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate
CID 59306516
ethyl 7-fluoro-1-(2-fluorocyclopropyl)-5-hydroxy-8-methyl-4-oxoquinoline-3-carboxylate
CID 77257437
8-chloro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
CID 123158848
7-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 174404376
ethyl 6-amino-7-fluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylate
CID 67271602
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775
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
ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
CID 20567393

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate (CID 67270782) is ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(Cl)c(Cl)ccc2c1=O.
What is the InChIKey of ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate?
The InChIKey is MRBJMXPMWXRTBD-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H12Cl2FNO3/c1-2-22-15(21)8-6-19(11-5-10(11)18)13-7(14(8)20)3-4-9(16)12(13)17/h3-4,6,10-11H,2,5H2,1H3/t10-,11-/m1/s1.
What are the key properties of ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate?
ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate has a molecular weight of 344.17 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dichloro-1-[(1R,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 67270782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).