2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one

C15H17N3O3 — CID 14875705

IUPAC2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)OC(C)(C)C(=O)N2
InChIInChI=1S/C15H17N3O3/c1-8-6-12(19)17-18-13(8)9-4-5-10-11(7-9)21-15(2,3)14(20)16-10/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVMXLOSDZZXVBJB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.66
Rot. Bonds1

About 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one

2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 14875705) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
PubChem CID14875705
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)OC(C)(C)C(=O)N2
InChIInChI=1S/C15H17N3O3/c1-8-6-12(19)17-18-13(8)9-4-5-10-11(7-9)21-15(2,3)14(20)16-10/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyVMXLOSDZZXVBJB-UHFFFAOYSA-N
XLogP1.66
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

Bemoradan
CID 5362399
PHCCC(4Me)
CID 49858117
4-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599439
6-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)-2H-1,4-benzoxazin-3(4H)-one
CID 9816616
2,2,4-trimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 14875707
6-(3,4-Dihydro-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydro-5-methylpyridazin-3-one
CID 15599410
2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
CID 15599419
2,4-dimethyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599420
2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4-propan-2-yl-1,4-benzoxazin-3-one
CID 15599429
4-cyclopentyl-2-methyl-6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599430
4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
CID 15599436
2-methyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
CID 44350243

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one (CID 14875705) is 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is CC1CC(=O)NN=C1c1ccc2c(c1)OC(C)(C)C(=O)N2.
What is the InChIKey of 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is VMXLOSDZZXVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-6-12(19)17-18-13(8)9-4-5-10-11(7-9)21-15(2,3)14(20)16-10/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one?
2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 287.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 14875705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).