2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one

C15H12N2O3 — CID 43340904

IUPAC2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)c3ccncc3)cc2NC1=O
InChIInChI=1S/C15H12N2O3/c1-9-15(19)17-12-8-11(2-3-13(12)20-9)14(18)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,19)
InChIKeyPVFGVFXKRZNGPP-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one

2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one (PubChem CID 43340904) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
PubChem CID43340904
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(C(=O)c3ccncc3)cc2NC1=O
InChIInChI=1S/C15H12N2O3/c1-9-15(19)17-12-8-11(2-3-13(12)20-9)14(18)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,19)
InChIKeyPVFGVFXKRZNGPP-UHFFFAOYSA-N
XLogP2.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromobenzoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43340877
2-methyl-6-(2-methylfuran-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43463663
6-(2,2-dimethylpropanoyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162307
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
6-(2,5-dimethylfuran-3-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 43463658
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 110683130
6-(4,5-dimethylthiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 65237117
6-(5-chlorothiophene-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 62276294
6-butanoyl-2-methyl-4H-1,4-benzoxazin-3-one
CID 43162308
2-methyl-6-[2-(methylamino)acetyl]-4H-1,4-benzoxazin-3-one
CID 82496236

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one (CID 43340904) is 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(C(=O)c3ccncc3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is PVFGVFXKRZNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-15(19)17-12-8-11(2-3-13(12)20-9)14(18)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,19).
What are the key properties of 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one?
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 268.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43340904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).