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

C18H16N2O4 — CID 54017441

IUPAC4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3Oc4ccccc4N(C)C3=O)cc21
InChIInChI=1S/C18H16N2O4/c1-19-13-9-11(7-8-14(13)23-10-16(19)21)17-18(22)20(2)12-5-3-4-6-15(12)24-17/h3-9,17H,10H2,1-2H3
InChIKeyCQGWDLCBSUTTJB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.14
Rot. Bonds1

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

4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one (PubChem CID 54017441) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one
PubChem CID54017441
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(C3Oc4ccccc4N(C)C3=O)cc21
InChIInChI=1S/C18H16N2O4/c1-19-13-9-11(7-8-14(13)23-10-16(19)21)17-18(22)20(2)12-5-3-4-6-15(12)24-17/h3-9,17H,10H2,1-2H3
InChIKeyCQGWDLCBSUTTJB-UHFFFAOYSA-N
XLogP2.14
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
4-methyl-6-(4-oxocyclohexyl)-1,4-benzoxazin-3-one
CID 116963361
4-methyl-6-(3-methylpiperazin-2-yl)-1,4-benzoxazin-3-one
CID 116829262
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
N-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 115191036
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
6-[(4S)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-4-methyl-1,4-benzoxazin-3-one
CID 126454100
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783605
4-methyl-6-[(2-oxopropylamino)methyl]-1,4-benzoxazin-3-one
CID 115234746

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one (CID 54017441) is 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(C3Oc4ccccc4N(C)C3=O)cc21.
What is the InChIKey of 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one?
The InChIKey is CQGWDLCBSUTTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19-13-9-11(7-8-14(13)23-10-16(19)21)17-18(22)20(2)12-5-3-4-6-15(12)24-17/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one?
4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one has a molecular weight of 324.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methyl-3-oxo-1,4-benzoxazin-2-yl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 54017441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).