2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide

C18H16BrN3O2 — CID 4792649

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1C
InChIInChI=1S/C18H16BrN3O2/c1-11-3-5-14(7-12(11)2)22-17(23)9-24-18-15-8-13(19)4-6-16(15)20-10-21-18/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyGRTLXWLTEILHHP-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.03
Rot. Bonds4

About 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide (PubChem CID 4792649) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
PubChem CID4792649
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1C
InChIInChI=1S/C18H16BrN3O2/c1-11-3-5-14(7-12(11)2)22-17(23)9-24-18-15-8-13(19)4-6-16(15)20-10-21-18/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyGRTLXWLTEILHHP-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
N-(4-bromo-3-methylphenyl)-2-quinazolin-4-yloxyacetamide
CID 2706655
2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
CID 7993762
2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide
CID 2127815
N-(3,4-dimethylphenyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 46391581
2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide
CID 78789358
2-(6-bromoquinazolin-4-yl)oxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4969535
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
2-(4-bromophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 2268328

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide (CID 4792649) is 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1C.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is GRTLXWLTEILHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11-3-5-14(7-12(11)2)22-17(23)9-24-18-15-8-13(19)4-6-16(15)20-10-21-18/h3-8,10H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 4792649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).