6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile

C15H12N4O2 — CID 172643561

IUPAC6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile
SMILESCC1CC(=O)NN=C1C1=CC2C=CC(=O)N=C2C(C#N)=C1
InChIInChI=1S/C15H12N4O2/c1-8-4-13(21)18-19-14(8)10-5-9-2-3-12(20)17-15(9)11(6-10)7-16/h2-3,5-6,8-9H,4H2,1H3,(H,18,21)
InChIKeyOKELQXAIZYZIBE-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.04
Rot. Bonds1

About 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile

6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile (PubChem CID 172643561) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile
PubChem CID172643561
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile
SMILESCC1CC(=O)NN=C1C1=CC2C=CC(=O)N=C2C(C#N)=C1
InChIInChI=1S/C15H12N4O2/c1-8-4-13(21)18-19-14(8)10-5-9-2-3-12(20)17-15(9)11(6-10)7-16/h2-3,5-6,8-9H,4H2,1H3,(H,18,21)
InChIKeyOKELQXAIZYZIBE-UHFFFAOYSA-N
XLogP1.04
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile?
The IUPAC name of 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile (CID 172643561) is 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile.
What is the SMILES notation for 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile?
The canonical SMILES for 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile is CC1CC(=O)NN=C1C1=CC2C=CC(=O)N=C2C(C#N)=C1.
What is the InChIKey of 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile?
The InChIKey is OKELQXAIZYZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-8-4-13(21)18-19-14(8)10-5-9-2-3-12(20)17-15(9)11(6-10)7-16/h2-3,5-6,8-9H,4H2,1H3,(H,18,21).
What are the key properties of 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile?
6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2-oxo-4aH-quinoline-8-carbonitrile is sourced from PubChem (CID 172643561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).