4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile

C17H12BrN3O2 — CID 55321352

IUPAC4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H12BrN3O2/c18-13-3-6-16-15(9-13)17(21-11-20-16)23-8-7-22-14-4-1-12(10-19)2-5-14/h1-6,9,11H,7-8H2
InChIKeyCBUAMJXKUFTAKD-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.72
Rot. Bonds5

About 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile

4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile (PubChem CID 55321352) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
PubChem CID55321352
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C17H12BrN3O2/c18-13-3-6-16-15(9-13)17(21-11-20-16)23-8-7-22-14-4-1-12(10-19)2-5-14/h1-6,9,11H,7-8H2
InChIKeyCBUAMJXKUFTAKD-UHFFFAOYSA-N
XLogP3.72
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
CID 112783896
6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603
3-(6-bromoquinazolin-4-yl)benzonitrile
CID 68516089
4-[2-(5-bromo-2-pyridinyl)ethoxy]benzonitrile
CID 169435503
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile
CID 168916731
2-(6-bromoquinazolin-4-yl)oxy-N-(1-cyanocyclohexyl)acetamide
CID 78789358
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
CID 112769880
4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 4531532
5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78803004
4-[2-(3-bromophenyl)sulfanylethoxy]benzonitrile
CID 55222834

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile?
The IUPAC name of 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile (CID 55321352) is 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile?
The canonical SMILES for 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile is N#Cc1ccc(OCCOc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile?
The InChIKey is CBUAMJXKUFTAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-13-3-6-16-15(9-13)17(21-11-20-16)23-8-7-22-14-4-1-12(10-19)2-5-14/h1-6,9,11H,7-8H2.
What are the key properties of 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile?
4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile has a molecular weight of 370.21 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-bromoquinazolin-4-yl)oxyethoxy]benzonitrile is sourced from PubChem (CID 55321352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).