N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide

C17H14BrN3O2 — CID 2706655

IUPACN-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ncnc3ccccc23)ccc1Br
InChIInChI=1S/C17H14BrN3O2/c1-11-8-12(6-7-14(11)18)21-16(22)9-23-17-13-4-2-3-5-15(13)19-10-20-17/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyMXBYBQGFOFAYEZ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.72
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide

N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 2706655) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide
PubChem CID2706655
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide
SMILESCc1cc(NC(=O)COc2ncnc3ccccc23)ccc1Br
InChIInChI=1S/C17H14BrN3O2/c1-11-8-12(6-7-14(11)18)21-16(22)9-23-17-13-4-2-3-5-15(13)19-10-20-17/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyMXBYBQGFOFAYEZ-UHFFFAOYSA-N
XLogP3.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
CID 4792649
N-(3,5-dimethoxyphenyl)-2-quinazolin-4-yloxyacetamide
CID 2375476
N-(3,4-dimethylphenyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 46391581
ethyl N-(2-quinazolin-4-yloxyacetyl)carbamate
CID 2630697
2-quinazolin-4-yloxy-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17415953
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003
methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(4-bromo-3-methylphenyl)-2-quinolin-6-yloxyacetamide
CID 112978729
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
CID 7998135

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide (CID 2706655) is N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide is Cc1cc(NC(=O)COc2ncnc3ccccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is MXBYBQGFOFAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-11-8-12(6-7-14(11)18)21-16(22)9-23-17-13-4-2-3-5-15(13)19-10-20-17/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide?
N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 372.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2706655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).