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

C14H12ClN3O2 — CID 172643560

IUPAC8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one
SMILESCC1CC(=O)NN=C1C1C=C(Cl)C2=NC(=O)C=CC2=C1
InChIInChI=1S/C14H12ClN3O2/c1-7-4-12(20)17-18-13(7)9-5-8-2-3-11(19)16-14(8)10(15)6-9/h2-3,5-7,9H,4H2,1H3,(H,17,20)
InChIKeyYUYMMENMOCWCFJ-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.71
Rot. Bonds1

About 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one

8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one (PubChem CID 172643560) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one.

Molecular Properties

Compound Name8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one
PubChem CID172643560
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one
SMILESCC1CC(=O)NN=C1C1C=C(Cl)C2=NC(=O)C=CC2=C1
InChIInChI=1S/C14H12ClN3O2/c1-7-4-12(20)17-18-13(7)9-5-8-2-3-11(19)16-14(8)10(15)6-9/h2-3,5-7,9H,4H2,1H3,(H,17,20)
InChIKeyYUYMMENMOCWCFJ-UHFFFAOYSA-N
XLogP1.71
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one?
The IUPAC name of 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one (CID 172643560) is 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one.
What is the SMILES notation for 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one?
The canonical SMILES for 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one is CC1CC(=O)NN=C1C1C=C(Cl)C2=NC(=O)C=CC2=C1.
What is the InChIKey of 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one?
The InChIKey is YUYMMENMOCWCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-4-12(20)17-18-13(7)9-5-8-2-3-11(19)16-14(8)10(15)6-9/h2-3,5-7,9H,4H2,1H3,(H,17,20).
What are the key properties of 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one?
8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one has a molecular weight of 289.72 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-6H-quinolin-2-one is sourced from PubChem (CID 172643560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).