7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one

C15H15N3O3 — CID 43479244

IUPAC7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1Nc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C15H15N3O3/c1-20-13-5-3-2-4-10(13)17-11-7-12-14(6-9(11)16)21-8-15(19)18-12/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyXTRIBECYOHWAOF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds3

About 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one

7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one (PubChem CID 43479244) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one
PubChem CID43479244
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one
SMILESCOc1ccccc1Nc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C15H15N3O3/c1-20-13-5-3-2-4-10(13)17-11-7-12-14(6-9(11)16)21-8-15(19)18-12/h2-7,17H,8,16H2,1H3,(H,18,19)
InChIKeyXTRIBECYOHWAOF-UHFFFAOYSA-N
XLogP2.35
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(2,4-dimethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479274
7-amino-6-(3-chloro-2-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479311
7-amino-6-(4-ethylanilino)-4H-1,4-benzoxazin-3-one
CID 43479290
7-amino-6-(2-chloro-4-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479312
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615768
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 43550407
7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
CID 43479176
7-amino-6-(2-iodophenoxy)-4H-1,4-benzoxazin-3-one
CID 43479561
7-amino-6-(1-pyridin-2-ylethylamino)-4H-1,4-benzoxazin-3-one
CID 43524329
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
ethyl N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)carbamate
CID 43551157
7-amino-6-(3-chloro-4-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479306

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one (CID 43479244) is 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one is COc1ccccc1Nc1cc2c(cc1N)OCC(=O)N2.
What is the InChIKey of 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one?
The InChIKey is XTRIBECYOHWAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-13-5-3-2-4-10(13)17-11-7-12-14(6-9(11)16)21-8-15(19)18-12/h2-7,17H,8,16H2,1H3,(H,18,19).
What are the key properties of 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one?
7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one has a molecular weight of 285.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2-methoxyanilino)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 43479244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).