6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one

C15H15N3O2 — CID 115126225

IUPAC6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C15H15N3O2/c1-9-2-4-11(16)12(6-9)17-10-3-5-14-13(7-10)18-15(19)8-20-14/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyATNGCLXYXROXMK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds2

About 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one

6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one (PubChem CID 115126225) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one
PubChem CID115126225
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one
SMILESCc1ccc(N)c(Nc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C15H15N3O2/c1-9-2-4-11(16)12(6-9)17-10-3-5-14-13(7-10)18-15(19)8-20-14/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyATNGCLXYXROXMK-UHFFFAOYSA-N
XLogP2.65
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207
7-amino-6-(2,4-dimethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479274
7-amino-6-(4-ethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479290
6-[(5-methylfuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 28651607
7-amino-6-(3-chloro-4-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479306
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
7-amino-6-methyl-4H-1,4-benzoxazin-3-one
CID 19908759
6-amino-7-methyl-4H-1,4-benzoxazin-3-one
CID 16765287
6-[(3-methylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 104860016
6-[2-(3-methylphenyl)ethenyl]-4H-1,4-benzoxazin-3-one
CID 68982207

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one (CID 115126225) is 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one is Cc1ccc(N)c(Nc2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one?
The InChIKey is ATNGCLXYXROXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-2-4-11(16)12(6-9)17-10-3-5-14-13(7-10)18-15(19)8-20-14/h2-7,17H,8,16H2,1H3,(H,18,19).
What are the key properties of 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one?
6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methylanilino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 115126225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).