2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide

C11H14N4O3 — CID 43479338

IUPAC2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C11H14N4O3/c1-13-10(16)4-14-7-3-8-9(2-6(7)12)18-5-11(17)15-8/h2-3,14H,4-5,12H2,1H3,(H,13,16)(H,15,17)
InChIKeyWSLGYRIPCMZRAP-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.24
Rot. Bonds3

About 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide

2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide (PubChem CID 43479338) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
PubChem CID43479338
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc2c(cc1N)OCC(=O)N2
InChIInChI=1S/C11H14N4O3/c1-13-10(16)4-14-7-3-8-9(2-6(7)12)18-5-11(17)15-8/h2-3,14H,4-5,12H2,1H3,(H,13,16)(H,15,17)
InChIKeyWSLGYRIPCMZRAP-UHFFFAOYSA-N
XLogP-0.24
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-(ethylamino)-4H-1,4-benzoxazin-3-one
CID 43479176
N-methyl-2-[(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetamide
CID 43479263
N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949186
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
7-amino-6-[(2-cyclopropyl-2-hydroxyethyl)amino]-4H-1,4-benzoxazin-3-one
CID 63294887
5-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]pentanamide
CID 106234227
7-amino-6-(3-hydroxybutylamino)-4H-1,4-benzoxazin-3-one
CID 64926874
7-amino-6-[(2-methyl-2-methylsulfonylpropyl)amino]-4H-1,4-benzoxazin-3-one
CID 79561041
3-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-3-methylbutanamide
CID 106095684
7-amino-6-(5-hydroxypentylamino)-4H-1,4-benzoxazin-3-one
CID 107316519
ethyl N-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)carbamate
CID 43551157
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106773

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide (CID 43479338) is 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide is CNC(=O)CNc1cc2c(cc1N)OCC(=O)N2.
What is the InChIKey of 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide?
The InChIKey is WSLGYRIPCMZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-13-10(16)4-14-7-3-8-9(2-6(7)12)18-5-11(17)15-8/h2-3,14H,4-5,12H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide?
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide has a molecular weight of 250.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide is sourced from PubChem (CID 43479338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).