4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile

C16H10BrN3O — CID 116525586

IUPAC4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(N)c3ncccc23)c(Br)c1
InChIInChI=1S/C16H10BrN3O/c17-12-8-10(9-18)3-5-15(12)21-14-6-4-13(19)16-11(14)2-1-7-20-16/h1-8H,19H2
InChIKeyVEBMBHRLPDLHBF-UHFFFAOYSA-N
MW340.18 g/mol
LogP4.24
Rot. Bonds2

About 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile

4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile (PubChem CID 116525586) has the molecular formula C16H10BrN3O and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile.

Molecular Properties

Compound Name4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile
PubChem CID116525586
Molecular FormulaC16H10BrN3O
Molecular Weight340.18 g/mol
Exact Mass339.00
IUPAC Name4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile
SMILESN#Cc1ccc(Oc2ccc(N)c3ncccc23)c(Br)c1
InChIInChI=1S/C16H10BrN3O/c17-12-8-10(9-18)3-5-15(12)21-14-6-4-13(19)16-11(14)2-1-7-20-16/h1-8H,19H2
InChIKeyVEBMBHRLPDLHBF-UHFFFAOYSA-N
XLogP4.24
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
CID 107655230
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
4-[(8-aminoquinolin-4-yl)amino]-3-bromobenzonitrile
CID 107787222
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
5-(3-bromo-5-fluorophenoxy)quinolin-8-amine
CID 81322073
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
3-chloro-4-quinolin-5-yloxybenzonitrile
CID 103044737
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile?
The IUPAC name of 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile (CID 116525586) is 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile.
What is the SMILES notation for 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile?
The canonical SMILES for 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile is N#Cc1ccc(Oc2ccc(N)c3ncccc23)c(Br)c1.
What is the InChIKey of 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile?
The InChIKey is VEBMBHRLPDLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O/c17-12-8-10(9-18)3-5-15(12)21-14-6-4-13(19)16-11(14)2-1-7-20-16/h1-8H,19H2.
What are the key properties of 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile?
4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile has a molecular weight of 340.18 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile is sourced from PubChem (CID 116525586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).