ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

C21H19FN2O4 — CID 110426665

IUPACethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H19FN2O4/c1-2-28-21(27)13-4-8-17(9-5-13)23-19(25)10-6-15-11-14-3-7-16(22)12-18(14)24-20(15)26/h3-5,7-9,11-12H,2,6,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyLFJZBKNRXUOOIF-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.42
Rot. Bonds6

About ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (PubChem CID 110426665) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
PubChem CID110426665
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Nameethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H19FN2O4/c1-2-28-21(27)13-4-8-17(9-5-13)23-19(25)10-6-15-11-14-3-7-16(22)12-18(14)24-20(15)26/h3-5,7-9,11-12H,2,6,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyLFJZBKNRXUOOIF-UHFFFAOYSA-N
XLogP3.42
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
N-(4-acetamidophenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110423904
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110674032
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110422559
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (CID 110426665) is ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)cc1.
What is the InChIKey of ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The InChIKey is LFJZBKNRXUOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-2-28-21(27)13-4-8-17(9-5-13)23-19(25)10-6-15-11-14-3-7-16(22)12-18(14)24-20(15)26/h3-5,7-9,11-12H,2,6,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate has a molecular weight of 382.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 110426665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).