ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate

C15H13F2NO3 — CID 50942302

IUPACethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)[nH]c2ccc(F)c(F)c2c1=O
InChIInChI=1S/C15H13F2NO3/c1-2-21-15(20)11-13(7-3-4-7)18-9-6-5-8(16)12(17)10(9)14(11)19/h5-7H,2-4H2,1H3,(H,18,19)
InChIKeyYWTIVVHKQFNVIW-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.86
Rot. Bonds3

About ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate

ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 50942302) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate
PubChem CID50942302
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Nameethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)[nH]c2ccc(F)c(F)c2c1=O
InChIInChI=1S/C15H13F2NO3/c1-2-21-15(20)11-13(7-3-4-7)18-9-6-5-8(16)12(17)10(9)14(11)19/h5-7H,2-4H2,1H3,(H,18,19)
InChIKeyYWTIVVHKQFNVIW-UHFFFAOYSA-N
XLogP2.86
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethylsulfanyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 10733958
ethyl 2-cyclopropyl-5,6,8-trifluoro-4-oxo-7-piperazin-1-yl-1H-quinoline-3-carboxylate
CID 70440373
ethyl 3-fluoro-6-oxo-1H-pyridine-2-carboxylate
CID 46311365
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
ethyl 2,3-difluoro-6-(trifluoromethyl)benzoate
CID 18792115
ethyl 3-(bromomethyl)-2,6-difluorobenzoate
CID 171016702
ethyl 4-fluoro-3-hydroxy-1H-indole-2-carboxylate
CID 54706936
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-chloro-3,6-difluorobenzoate
CID 46311291
ethyl 5-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate
CID 14519549
ethyl 2-cyclopropyl-1H-indole-5-carboxylate
CID 155891220
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate (CID 50942302) is ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(C2CC2)[nH]c2ccc(F)c(F)c2c1=O.
What is the InChIKey of ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is YWTIVVHKQFNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-2-21-15(20)11-13(7-3-4-7)18-9-6-5-8(16)12(17)10(9)14(11)19/h5-7H,2-4H2,1H3,(H,18,19).
What are the key properties of ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 293.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-5,6-difluoro-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 50942302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).