3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C16H19N3O2 — CID 11778686

IUPAC3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)N1CCCc2cc(C3=NNC(=O)CC3C)ccc21
InChIInChI=1S/C16H19N3O2/c1-10-8-15(21)17-18-16(10)13-5-6-14-12(9-13)4-3-7-19(14)11(2)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyRJOARWPAOPYADF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.85
Rot. Bonds1

About 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11778686) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11778686
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)N1CCCc2cc(C3=NNC(=O)CC3C)ccc21
InChIInChI=1S/C16H19N3O2/c1-10-8-15(21)17-18-16(10)13-5-6-14-12(9-13)4-3-7-19(14)11(2)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21)
InChIKeyRJOARWPAOPYADF-UHFFFAOYSA-N
XLogP1.85
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 11778686) is 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC(=O)N1CCCc2cc(C3=NNC(=O)CC3C)ccc21.
What is the InChIKey of 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RJOARWPAOPYADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-8-15(21)17-18-16(10)13-5-6-14-12(9-13)4-3-7-19(14)11(2)20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,21).
What are the key properties of 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 285.35 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11778686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).