4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one

C18H13FN2O — CID 73426556

IUPAC4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
SMILESO=C1CC(c2cccc(F)c2)N1c1cccc2cccnc12
InChIInChI=1S/C18H13FN2O/c19-14-7-1-5-13(10-14)16-11-17(22)21(16)15-8-2-4-12-6-3-9-20-18(12)15/h1-10,16H,11H2
InChIKeyKKDSRRBYOANBFS-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.85
Rot. Bonds2

About 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one

4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one (PubChem CID 73426556) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
PubChem CID73426556
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
SMILESO=C1CC(c2cccc(F)c2)N1c1cccc2cccnc12
InChIInChI=1S/C18H13FN2O/c19-14-7-1-5-13(10-14)16-11-17(22)21(16)15-8-2-4-12-6-3-9-20-18(12)15/h1-10,16H,11H2
InChIKeyKKDSRRBYOANBFS-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one (CID 73426556) is 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one is O=C1CC(c2cccc(F)c2)N1c1cccc2cccnc12.
What is the InChIKey of 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one?
The InChIKey is KKDSRRBYOANBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-14-7-1-5-13(10-14)16-11-17(22)21(16)15-8-2-4-12-6-3-9-20-18(12)15/h1-10,16H,11H2.
What are the key properties of 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one?
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one has a molecular weight of 292.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one is sourced from PubChem (CID 73426556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).