N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide

C18H16N4O4 — CID 7998135

IUPACN-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ncnc3ccccc23)c1C
InChIInChI=1S/C18H16N4O4/c1-11-7-8-15(22(24)25)17(12(11)2)21-16(23)9-26-18-13-5-3-4-6-14(13)19-10-20-18/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyQNWAMZRKGVUKJE-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.17
Rot. Bonds5

About N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide

N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide (PubChem CID 7998135) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
PubChem CID7998135
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)COc2ncnc3ccccc23)c1C
InChIInChI=1S/C18H16N4O4/c1-11-7-8-15(22(24)25)17(12(11)2)21-16(23)9-26-18-13-5-3-4-6-14(13)19-10-20-18/h3-8,10H,9H2,1-2H3,(H,21,23)
InChIKeyQNWAMZRKGVUKJE-UHFFFAOYSA-N
XLogP3.17
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7815730
N-(2,3-dimethyl-6-nitrophenyl)-2-(2-formylphenoxy)acetamide
CID 7762574
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139184
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7775989
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724271
N-(2,3-dimethyl-6-nitrophenyl)-2-hydroxyacetamide
CID 16769548
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844454
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984536
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838136
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8631755

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide (CID 7998135) is N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide is Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ncnc3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is QNWAMZRKGVUKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-7-8-15(22(24)25)17(12(11)2)21-16(23)9-26-18-13-5-3-4-6-14(13)19-10-20-18/h3-8,10H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide?
N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 352.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-6-nitrophenyl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 7998135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).