2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one

C18H12N2O4 — CID 541118

IUPAC2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
SMILESCc1nc2ccc(-c3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1
InChIInChI=1S/C18H12N2O4/c1-9-19-15-5-3-11(7-13(15)17(21)23-9)12-4-6-16-14(8-12)18(22)24-10(2)20-16/h3-8H,1-2H3
InChIKeyQOAAZOVWOPMNGS-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one

2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one (PubChem CID 541118) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
PubChem CID541118
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one
SMILESCc1nc2ccc(-c3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1
InChIInChI=1S/C18H12N2O4/c1-9-19-15-5-3-11(7-13(15)17(21)23-9)12-4-6-16-14(8-12)18(22)24-10(2)20-16/h3-8H,1-2H3
InChIKeyQOAAZOVWOPMNGS-UHFFFAOYSA-N
XLogP2.97
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one (CID 541118) is 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one is Cc1nc2ccc(-c3ccc4nc(C)oc(=O)c4c3)cc2c(=O)o1.
What is the InChIKey of 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one?
The InChIKey is QOAAZOVWOPMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-9-19-15-5-3-11(7-13(15)17(21)23-9)12-4-6-16-14(8-12)18(22)24-10(2)20-16/h3-8H,1-2H3.
What are the key properties of 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one?
2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one has a molecular weight of 320.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methyl-4-oxo-3,1-benzoxazin-6-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 541118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).