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

C17H13N3O — CID 107655230

IUPAC3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1ccc(N)c2ncccc12
InChIInChI=1S/C17H13N3O/c1-11-4-5-12(10-18)9-16(11)21-15-7-6-14(19)17-13(15)3-2-8-20-17/h2-9H,19H2,1H3
InChIKeyKVXSLVMVFAHNCQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.79
Rot. Bonds2

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

3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile (PubChem CID 107655230) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
PubChem CID107655230
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1ccc(N)c2ncccc12
InChIInChI=1S/C17H13N3O/c1-11-4-5-12(10-18)9-16(11)21-15-7-6-14(19)17-13(15)3-2-8-20-17/h2-9H,19H2,1H3
InChIKeyKVXSLVMVFAHNCQ-UHFFFAOYSA-N
XLogP3.79
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile 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

4-(8-aminoquinolin-5-yl)oxy-3-bromobenzonitrile
CID 116525586
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
3-(2-amino-4-bromophenoxy)-4-methylbenzonitrile
CID 107655195
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104

Frequently Asked Questions

What is the IUPAC name of 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile (CID 107655230) is 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile is Cc1ccc(C#N)cc1Oc1ccc(N)c2ncccc12.
What is the InChIKey of 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile?
The InChIKey is KVXSLVMVFAHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-4-5-12(10-18)9-16(11)21-15-7-6-14(19)17-13(15)3-2-8-20-17/h2-9H,19H2,1H3.
What are the key properties of 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile?
3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).