6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

C18H13F3N4O2 — CID 99701593

IUPAC6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3nc(-c4ccc(F)c(F)c4)no3)c(F)cc2N1
InChIInChI=1S/C18H13F3N4O2/c19-11-3-1-10(5-12(11)20)18-24-17(27-25-18)8-22-15-6-9-2-4-16(26)23-14(9)7-13(15)21/h1,3,5-7,22H,2,4,8H2,(H,23,26)
InChIKeyZDVLWDGDYCIEGZ-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.65
Rot. Bonds4

About 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 99701593) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID99701593
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3nc(-c4ccc(F)c(F)c4)no3)c(F)cc2N1
InChIInChI=1S/C18H13F3N4O2/c19-11-3-1-10(5-12(11)20)18-24-17(27-25-18)8-22-15-6-9-2-4-16(26)23-14(9)7-13(15)21/h1,3,5-7,22H,2,4,8H2,(H,23,26)
InChIKeyZDVLWDGDYCIEGZ-UHFFFAOYSA-N
XLogP3.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 99701593) is 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3nc(-c4ccc(F)c(F)c4)no3)c(F)cc2N1.
What is the InChIKey of 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZDVLWDGDYCIEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-11-3-1-10(5-12(11)20)18-24-17(27-25-18)8-22-15-6-9-2-4-16(26)23-14(9)7-13(15)21/h1,3,5-7,22H,2,4,8H2,(H,23,26).
What are the key properties of 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 374.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 99701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).