ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate

C17H15F2NO3 — CID 19371459

IUPACethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESC=Cc1c(F)c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c12
InChIInChI=1S/C17H15F2NO3/c1-3-10-14(19)13(18)7-11-15(10)20(9-5-6-9)8-12(16(11)21)17(22)23-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeySKPYGTCWGNOSFW-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.43
Rot. Bonds4

About ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate

ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (PubChem CID 19371459) has the molecular formula C17H15F2NO3 and a molecular weight of 319.31 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
PubChem CID19371459
Molecular FormulaC17H15F2NO3
Molecular Weight319.31 g/mol
Exact Mass319.10
IUPAC Nameethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
SMILESC=Cc1c(F)c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c12
InChIInChI=1S/C17H15F2NO3/c1-3-10-14(19)13(18)7-11-15(10)20(9-5-6-9)8-12(16(11)21)17(22)23-4-2/h3,7-9H,1,4-6H2,2H3
InChIKeySKPYGTCWGNOSFW-UHFFFAOYSA-N
XLogP3.43
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 8-bromo-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 11046932
ethyl 1-cyclopropyl-6,8-difluoro-7-iodo-4-oxoquinoline-3-carboxylate
CID 10669733
ethyl 8-[(Z)-3-[(2S,4S)-4-aminopyrrolidin-2-yl]prop-1-enyl]-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 66615340
ethyl 8-[3-[(2S,4R)-4-(aminomethyl)pyrrolidin-2-yl]prop-1-enyl]-1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 123316321
ethyl 1-cyclopropyl-7,8-difluoro-6-nitro-4-oxoquinoline-3-carboxylate
CID 139840412
ethyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114933
ethyl 6,7-difluoro-1-[(1R,2R)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylate
CID 70114932
ethyl 1-cyclopropyl-6,7-difluoro-8-[3-[(2R,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 123438615
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 8-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 18333191
ethyl 1-cyclopropyl-6,7-difluoro-8-[(Z)-3-[(2R,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]prop-1-enyl]-4-oxoquinoline-3-carboxylate
CID 66604769

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate (CID 19371459) is ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is C=Cc1c(F)c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c12.
What is the InChIKey of ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is SKPYGTCWGNOSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO3/c1-3-10-14(19)13(18)7-11-15(10)20(9-5-6-9)8-12(16(11)21)17(22)23-4-2/h3,7-9H,1,4-6H2,2H3.
What are the key properties of ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate?
ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 319.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-8-ethenyl-6,7-difluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 19371459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).