2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide

C17H17BrN4O2 — CID 78789358

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2ncnc3ccc(Br)cc23)CCCCC1
InChIInChI=1S/C17H17BrN4O2/c18-12-4-5-14-13(8-12)16(21-11-20-14)24-9-15(23)22-17(10-19)6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9H2,(H,22,23)
InChIKeyFHSRNPYECFEYPI-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.11
Rot. Bonds4

About 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide (PubChem CID 78789358) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide
PubChem CID78789358
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)COc2ncnc3ccc(Br)cc23)CCCCC1
InChIInChI=1S/C17H17BrN4O2/c18-12-4-5-14-13(8-12)16(21-11-20-14)24-9-15(23)22-17(10-19)6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9H2,(H,22,23)
InChIKeyFHSRNPYECFEYPI-UHFFFAOYSA-N
XLogP3.11
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-(cyclohexylmethyl)acetamide
CID 2127815
2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2573004
2-(6-bromoquinazolin-4-yl)oxy-N-[(2S)-butan-2-yl]acetamide
CID 7993762
2-(2-bromo-4-fluorophenoxy)-N-(1-cyanocyclohexyl)acetamide
CID 30032881
N-(1-cyanocycloheptyl)-2-(2,4-dibromoanilino)acetamide
CID 55532584
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9324842
2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzoic acid
CID 45394212
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-bromobenzoate
CID 7476853
methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531
N-(1-cyanocyclohexyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026920
2-(2-acetylphenoxy)-N-(1-cyanocyclopentyl)acetamide
CID 7434176

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide (CID 78789358) is 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)COc2ncnc3ccc(Br)cc23)CCCCC1.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is FHSRNPYECFEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c18-12-4-5-14-13(8-12)16(21-11-20-14)24-9-15(23)22-17(10-19)6-2-1-3-7-17/h4-5,8,11H,1-3,6-7,9H2,(H,22,23).
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 389.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 78789358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).