(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate

C12H9ClFNO4 — CID 67847624

IUPAC(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2ccc(Cl)c(F)c21
InChIInChI=1S/C12H9ClFNO4/c1-2-15-5-8(19-12(17)18)11(16)6-3-4-7(13)9(14)10(6)15/h3-5H,2H2,1H3,(H,17,18)
InChIKeyKZGVXHNFNGAZIJ-UHFFFAOYSA-N
MW285.66 g/mol
LogP2.87
Rot. Bonds2

About (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate

(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate (PubChem CID 67847624) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
PubChem CID67847624
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
SMILESCCn1cc(OC(=O)O)c(=O)c2ccc(Cl)c(F)c21
InChIInChI=1S/C12H9ClFNO4/c1-2-15-5-8(19-12(17)18)11(16)6-3-4-7(13)9(14)10(6)15/h3-5H,2H2,1H3,(H,17,18)
InChIKeyKZGVXHNFNGAZIJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-6,7,8-trifluoro-5-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70354424
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
(1-ethyl-6,7,8-trifluoro-4-oxoquinolin-3-yl) propanoate
CID 175393794
(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70473106
[7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-ethyl-6,8-difluoro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67938730
[6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 87795090
[7-chloro-1-[(3,4-difluorophenyl)methyl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 68562118
(6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 70563744
ethyl (1-ethyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl) carbonate
CID 70471151
[1-(4-chlorophenyl)-6,7,8-trifluoro-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70470947
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
[8-fluoro-4-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-3-yl] hydrogen carbonate
CID 68559621

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate (CID 67847624) is (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate is CCn1cc(OC(=O)O)c(=O)c2ccc(Cl)c(F)c21.
What is the InChIKey of (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate?
The InChIKey is KZGVXHNFNGAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c1-2-15-5-8(19-12(17)18)11(16)6-3-4-7(13)9(14)10(6)15/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate?
(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate has a molecular weight of 285.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 67847624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).