3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one

C14H12FN3O2 — CID 110744009

IUPAC3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12FN3O2/c15-10-5-1-3-9-4-2-8-18(13(9)10)14(20)11-6-7-12(19)17-16-11/h1,3,5-7H,2,4,8H2,(H,17,19)
InChIKeyXHJYPSRNQJPARQ-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.50
Rot. Bonds1

About 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one

3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110744009) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110744009
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCc2cccc(F)c21
InChIInChI=1S/C14H12FN3O2/c15-10-5-1-3-9-4-2-8-18(13(9)10)14(20)11-6-7-12(19)17-16-11/h1,3,5-7H,2,4,8H2,(H,17,19)
InChIKeyXHJYPSRNQJPARQ-UHFFFAOYSA-N
XLogP1.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 134002037
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 110744006
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 95930576
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 110744007
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 97063042
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 71914326
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 134052350
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 76857507

Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one (CID 110744009) is 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCc2cccc(F)c21.
What is the InChIKey of 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is XHJYPSRNQJPARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-10-5-1-3-9-4-2-8-18(13(9)10)14(20)11-6-7-12(19)17-16-11/h1,3,5-7H,2,4,8H2,(H,17,19).
What are the key properties of 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one?
3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 273.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110744009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).