8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one

C13H14FNO2 — CID 105495990

IUPAC8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C2CCCO2)c2cccc(F)c2N1
InChIInChI=1S/C13H14FNO2/c14-10-4-1-3-8-9(11-5-2-6-17-11)7-12(16)15-13(8)10/h1,3-4,9,11H,2,5-7H2,(H,15,16)
InChIKeyAWXUEEAVOPLNAW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.43
Rot. Bonds1

About 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one

8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 105495990) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID105495990
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C2CCCO2)c2cccc(F)c2N1
InChIInChI=1S/C13H14FNO2/c14-10-4-1-3-8-9(11-5-2-6-17-11)7-12(16)15-13(8)10/h1,3-4,9,11H,2,5-7H2,(H,15,16)
InChIKeyAWXUEEAVOPLNAW-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 105495990) is 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C2CCCO2)c2cccc(F)c2N1.
What is the InChIKey of 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AWXUEEAVOPLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-10-4-1-3-8-9(11-5-2-6-17-11)7-12(16)15-13(8)10/h1,3-4,9,11H,2,5-7H2,(H,15,16).
What are the key properties of 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-(oxolan-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 105495990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).