ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate

C12H10FNO3 — CID 162422252

IUPACethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-11(15)14-10-5-7(13)3-4-8(9)10/h3-6H,2H2,1H3,(H,14,15)
InChIKeySEMSOZDGJPQCFU-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.84
Rot. Bonds2

About ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate

ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 162422252) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
PubChem CID162422252
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-11(15)14-10-5-7(13)3-4-8(9)10/h3-6H,2H2,1H3,(H,14,15)
InChIKeySEMSOZDGJPQCFU-UHFFFAOYSA-N
XLogP1.84
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-(2-amino-2-ethylbutyl)-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 119641077
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
2-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119188586
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228708

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate (CID 162422252) is ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate is CCOC(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is SEMSOZDGJPQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-11(15)14-10-5-7(13)3-4-8(9)10/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate?
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 162422252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).