2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide

C17H20BrN3O2 — CID 2127815

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide
SMILESO=C(COc1ncnc2ccc(Br)cc12)NCC1CCCCC1
InChIInChI=1S/C17H20BrN3O2/c18-13-6-7-15-14(8-13)17(21-11-20-15)23-10-16(22)19-9-12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2,(H,19,22)
InChIKeyRPLGIBBVFZGQKJ-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.47
Rot. Bonds5

About 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide (PubChem CID 2127815) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide
PubChem CID2127815
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide
SMILESO=C(COc1ncnc2ccc(Br)cc12)NCC1CCCCC1
InChIInChI=1S/C17H20BrN3O2/c18-13-6-7-15-14(8-13)17(21-11-20-15)23-10-16(22)19-9-12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2,(H,19,22)
InChIKeyRPLGIBBVFZGQKJ-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
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-[(2S)-butan-2-yl]acetamide
CID 7993762
2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
CID 4792649
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
2-(6-bromoquinazolin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 2998405
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2364327

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide (CID 2127815) is 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide is O=C(COc1ncnc2ccc(Br)cc12)NCC1CCCCC1.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide?
The InChIKey is RPLGIBBVFZGQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c18-13-6-7-15-14(8-13)17(21-11-20-15)23-10-16(22)19-9-12-4-2-1-3-5-12/h6-8,11-12H,1-5,9-10H2,(H,19,22).
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.47, 5 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-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 2127815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).