5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

C13H14FNO2 — CID 66917284

IUPAC5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)cc(C)[nH]c12
InChIInChI=1S/C13H14FNO2/c1-3-6-17-11-5-4-9(14)12-10(16)7-8(2)15-13(11)12/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyRYEHBCRNENYKKC-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.76
Rot. Bonds3

About 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one

5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (PubChem CID 66917284) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
PubChem CID66917284
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1ccc(F)c2c(=O)cc(C)[nH]c12
InChIInChI=1S/C13H14FNO2/c1-3-6-17-11-5-4-9(14)12-10(16)7-8(2)15-13(11)12/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKeyRYEHBCRNENYKKC-UHFFFAOYSA-N
XLogP2.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one (CID 66917284) is 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is CCCOc1ccc(F)c2c(=O)cc(C)[nH]c12.
What is the InChIKey of 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
The InChIKey is RYEHBCRNENYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-3-6-17-11-5-4-9(14)12-10(16)7-8(2)15-13(11)12/h4-5,7H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one?
5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one has a molecular weight of 235.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 66917284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).