ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate

C21H19FN2O4 — CID 39850939

IUPACethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C21H19FN2O4/c1-3-24-12-17(19(25)16-11-14(22)7-10-18(16)24)20(26)23-15-8-5-13(6-9-15)21(27)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,26)
InChIKeyBMLOJSUQUMARMW-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.59
Rot. Bonds5

About ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate

ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate (PubChem CID 39850939) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
PubChem CID39850939
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Nameethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C21H19FN2O4/c1-3-24-12-17(19(25)16-11-14(22)7-10-18(16)24)20(26)23-15-8-5-13(6-9-15)21(27)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,26)
InChIKeyBMLOJSUQUMARMW-UHFFFAOYSA-N
XLogP3.59
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
1-ethyl-6-fluoro-4-oxo-N-(1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 39850839
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate (CID 39850939) is ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cn(CC)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate?
The InChIKey is BMLOJSUQUMARMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-3-24-12-17(19(25)16-11-14(22)7-10-18(16)24)20(26)23-15-8-5-13(6-9-15)21(27)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate?
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate has a molecular weight of 382.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 39850939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).