methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate

C20H18FNO4 — CID 66917193

IUPACmethyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(C(=O)OC)cc3)c[nH]c12
InChIInChI=1S/C20H18FNO4/c1-3-10-26-16-9-8-15(21)17-18(16)22-11-14(19(17)23)12-4-6-13(7-5-12)20(24)25-2/h4-9,11H,3,10H2,1-2H3,(H,22,23)
InChIKeyOGXAJSSROPASFV-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.91
Rot. Bonds5

About methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate

methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate (PubChem CID 66917193) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
PubChem CID66917193
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Namemethyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(C(=O)OC)cc3)c[nH]c12
InChIInChI=1S/C20H18FNO4/c1-3-10-26-16-9-8-15(21)17-18(16)22-11-14(19(17)23)12-4-6-13(7-5-12)20(24)25-2/h4-9,11H,3,10H2,1-2H3,(H,22,23)
InChIKeyOGXAJSSROPASFV-UHFFFAOYSA-N
XLogP3.91
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate?
The IUPAC name of methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate (CID 66917193) is methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate.
What is the SMILES notation for methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate?
The canonical SMILES for methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate is CCCOc1ccc(F)c2c(=O)c(-c3ccc(C(=O)OC)cc3)c[nH]c12.
What is the InChIKey of methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate?
The InChIKey is OGXAJSSROPASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-3-10-26-16-9-8-15(21)17-18(16)22-11-14(19(17)23)12-4-6-13(7-5-12)20(24)25-2/h4-9,11H,3,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate?
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate has a molecular weight of 355.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate is sourced from PubChem (CID 66917193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).