4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

C15H17N3O3 — CID 15599436

IUPAC4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCc1cc(C2=NNC(=O)CC2C)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H17N3O3/c1-8-4-10(14-9(2)6-12(19)16-17-14)15-11(5-8)18(3)13(20)7-21-15/h4-5,9H,6-7H2,1-3H3,(H,16,19)
InChIKeyKWHUOQCJQPZBKC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.21
Rot. Bonds1

About 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one

4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (PubChem CID 15599436) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
PubChem CID15599436
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one
SMILESCc1cc(C2=NNC(=O)CC2C)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H17N3O3/c1-8-4-10(14-9(2)6-12(19)16-17-14)15-11(5-8)18(3)13(20)7-21-15/h4-5,9H,6-7H2,1-3H3,(H,16,19)
InChIKeyKWHUOQCJQPZBKC-UHFFFAOYSA-N
XLogP1.21
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one (CID 15599436) is 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is Cc1cc(C2=NNC(=O)CC2C)c2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
The InChIKey is KWHUOQCJQPZBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-4-10(14-9(2)6-12(19)16-17-14)15-11(5-8)18(3)13(20)7-21-15/h4-5,9H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one?
4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one has a molecular weight of 287.32 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-8-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 15599436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).