6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one

C19H20FNO2 — CID 170106851

IUPAC6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1-c1c(C)c(C)c(C)c(C)c1F)NC(=O)CO2
InChIInChI=1S/C19H20FNO2/c1-9-6-16-15(21-17(22)8-23-16)7-14(9)18-12(4)10(2)11(3)13(5)19(18)20/h6-7H,8H2,1-5H3,(H,21,22)
InChIKeyHXEHLIQWQHJKPT-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.37
Rot. Bonds1

About 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one

6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 170106851) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one
PubChem CID170106851
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1-c1c(C)c(C)c(C)c(C)c1F)NC(=O)CO2
InChIInChI=1S/C19H20FNO2/c1-9-6-16-15(21-17(22)8-23-16)7-14(9)18-12(4)10(2)11(3)13(5)19(18)20/h6-7H,8H2,1-5H3,(H,21,22)
InChIKeyHXEHLIQWQHJKPT-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
7-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4H-1,4-benzoxazin-3-one
CID 15599421
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
CID 22625608
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
4-(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
CID 15599397
6-ethynyl-7-fluoro-4H-1,4-benzoxazin-3-one
CID 22625617
6-(aminomethyl)-7-fluoro-4H-1,4-benzoxazin-3-one
CID 59298314
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
6-amino-7-ethyl-4H-1,4-benzoxazin-3-one
CID 19908782

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one (CID 170106851) is 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1-c1c(C)c(C)c(C)c(C)c1F)NC(=O)CO2.
What is the InChIKey of 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is HXEHLIQWQHJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-9-6-16-15(21-17(22)8-23-16)7-14(9)18-12(4)10(2)11(3)13(5)19(18)20/h6-7H,8H2,1-5H3,(H,21,22).
What are the key properties of 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one?
6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 313.37 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3,4,5,6-tetramethylphenyl)-7-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 170106851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).