2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide

C16H14BrN3O3 — CID 39718624

IUPAC2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c1
InChIInChI=1S/C16H14BrN3O3/c1-10-4-5-18-14(6-10)19-15(21)8-20-12-3-2-11(17)7-13(12)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,18,19,21)
InChIKeyIZBMZMGAQWVHKS-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.52
Rot. Bonds3

About 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 39718624) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID39718624
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c1
InChIInChI=1S/C16H14BrN3O3/c1-10-4-5-18-14(6-10)19-15(21)8-20-12-3-2-11(17)7-13(12)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,18,19,21)
InChIKeyIZBMZMGAQWVHKS-UHFFFAOYSA-N
XLogP2.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(1-hydroxypropan-2-yl)acetamide
CID 78872400
diethyl 2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanedioate
CID 39403095
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112835343
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 55796595
N-(2-benzylphenyl)-2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 38956965
(2,4,6-trimethylphenyl) 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 38959105
N'-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyridine-3-carbohydrazide
CID 39039312
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 38957191
2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-4,5-dimethoxy-N,N-dimethylbenzamide
CID 39464003
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide (CID 39718624) is 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)c1.
What is the InChIKey of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is IZBMZMGAQWVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-10-4-5-18-14(6-10)19-15(21)8-20-12-3-2-11(17)7-13(12)23-9-16(20)22/h2-7H,8-9H2,1H3,(H,18,19,21).
What are the key properties of 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide?
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 376.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 39718624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).