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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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methyl-1-oxophthalazin-2(1H)-yl)acetamide
CID 648380
6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide
CID 4916029
N-(3-fluoro-4-methylphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 2975205
2-(1-Oxo-4-phenyl-1,2,5,6,7,8-hexahydrophthalazin-2-YL)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16014481
2-[3-(3,4-Dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-ethylphenyl)propanamide
CID 16014948
methyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118729329
ethyl N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 118729330
4-(dimethylamino)-N-[4-[[4-(4-fluorophenyl)-1-oxo-4a,8a-dihydrophthalazin-2-yl]methyl]phenyl]butanamide
CID 145979514
N-(5-fluoro-2-methylphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3235682
N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 5206494
6-methyl-3-[(E)-(phenylhydrazinylidene)methyl]-1H-quinolin-2-one
CID 136235462
N-(4-isopropylphenyl)-2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetamide
CID 7662494

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).