6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one

C14H12N2O3 — CID 145481089

IUPAC6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Oc2ccc3c(c2)NC(=O)CO3)ccn1
InChIInChI=1S/C14H12N2O3/c1-9-6-11(4-5-15-9)19-10-2-3-13-12(7-10)16-14(17)8-18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGVCVDXRYNDXHSK-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.51
Rot. Bonds2

About 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one

6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one (PubChem CID 145481089) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one
PubChem CID145481089
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one
SMILESCc1cc(Oc2ccc3c(c2)NC(=O)CO3)ccn1
InChIInChI=1S/C14H12N2O3/c1-9-6-11(4-5-15-9)19-10-2-3-13-12(7-10)16-14(17)8-18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyGVCVDXRYNDXHSK-UHFFFAOYSA-N
XLogP2.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
CID 17233891
7-methyl-1H-pyrido[3,4-b][1,4]oxazin-2-one;molecular hydrogen
CID 145497410
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
6-[chloro-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61084415
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
(3,5-dimethylphenyl)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]azanium
CID 142893545
6-[(2-methylpyrimidin-4-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 62747139

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one (CID 145481089) is 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one is Cc1cc(Oc2ccc3c(c2)NC(=O)CO3)ccn1.
What is the InChIKey of 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one?
The InChIKey is GVCVDXRYNDXHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-9-6-11(4-5-15-9)19-10-2-3-13-12(7-10)16-14(17)8-18-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one?
6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one has a molecular weight of 256.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-4-pyridinyl)oxy]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 145481089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).