propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate

C21H19FN2O4 — CID 43833300

IUPACpropan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)cc1
InChIInChI=1S/C21H19FN2O4/c1-13(2)28-21(27)14-6-8-15(9-7-14)23-19(26)12-24-11-10-18(25)16-4-3-5-17(22)20(16)24/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyHZQAGCYNQRTQOL-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.34
Rot. Bonds5

About propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate

propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate (PubChem CID 43833300) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate
PubChem CID43833300
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Namepropan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCC(C)OC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)cc1
InChIInChI=1S/C21H19FN2O4/c1-13(2)28-21(27)14-6-8-15(9-7-14)23-19(26)12-24-11-10-18(25)16-4-3-5-17(22)20(16)24/h3-11,13H,12H2,1-2H3,(H,23,26)
InChIKeyHZQAGCYNQRTQOL-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-fluoro-4-oxoquinolin-1-yl)-N-pyridin-4-ylacetamide
CID 43832572
N-(2-ethylphenyl)-2-(8-fluoro-4-oxoquinolin-1-yl)acetamide
CID 43832820
ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43832673
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
propan-2-yl 4-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzoate
CID 1154537
2-(8-fluoro-4-oxoquinolin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 43833298
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
propan-2-yl 4-[[2-(cyanomethylsulfanyl)acetyl]amino]benzoate
CID 43069113
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100741952
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate (CID 43833300) is propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate is CC(C)OC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cccc(F)c32)cc1.
What is the InChIKey of propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The InChIKey is HZQAGCYNQRTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13(2)28-21(27)14-6-8-15(9-7-14)23-19(26)12-24-11-10-18(25)16-4-3-5-17(22)20(16)24/h3-11,13H,12H2,1-2H3,(H,23,26).
What are the key properties of propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate has a molecular weight of 382.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 43833300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).