6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one

C20H13F2N3O2 — CID 59849705

IUPAC6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)ccc2[nH]1
InChIInChI=1S/C20H13F2N3O2/c21-15-8-14(9-16(22)10-15)18-4-6-20(27)25(24-18)11-12-1-3-17-13(7-12)2-5-19(26)23-17/h1-10H,11H2,(H,23,26)
InChIKeyCNZOWGNFFCOMPF-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.08
Rot. Bonds3

About 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one

6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 59849705) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID59849705
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC Name6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)ccc2[nH]1
InChIInChI=1S/C20H13F2N3O2/c21-15-8-14(9-16(22)10-15)18-4-6-20(27)25(24-18)11-12-1-3-17-13(7-12)2-5-19(26)23-17/h1-10H,11H2,(H,23,26)
InChIKeyCNZOWGNFFCOMPF-UHFFFAOYSA-N
XLogP3.08
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one (CID 59849705) is 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one is O=c1ccc2cc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)ccc2[nH]1.
What is the InChIKey of 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is CNZOWGNFFCOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-15-8-14(9-16(22)10-15)18-4-6-20(27)25(24-18)11-12-1-3-17-13(7-12)2-5-19(26)23-17/h1-10H,11H2,(H,23,26).
What are the key properties of 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one?
6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 365.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 59849705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).