4-(6,8-dimethylquinolin-4-yl)oxyaniline

C17H16N2O — CID 54773300

IUPAC4-(6,8-dimethylquinolin-4-yl)oxyaniline
SMILESCc1cc(C)c2nccc(Oc3ccc(N)cc3)c2c1
InChIInChI=1S/C17H16N2O/c1-11-9-12(2)17-15(10-11)16(7-8-19-17)20-14-5-3-13(18)4-6-14/h3-10H,18H2,1-2H3
InChIKeyBOTJUIARPXTOPZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.23
Rot. Bonds2

About 4-(6,8-dimethylquinolin-4-yl)oxyaniline

4-(6,8-dimethylquinolin-4-yl)oxyaniline (PubChem CID 54773300) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(6,8-dimethylquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(6,8-dimethylquinolin-4-yl)oxyaniline
PubChem CID54773300
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-(6,8-dimethylquinolin-4-yl)oxyaniline
SMILESCc1cc(C)c2nccc(Oc3ccc(N)cc3)c2c1
InChIInChI=1S/C17H16N2O/c1-11-9-12(2)17-15(10-11)16(7-8-19-17)20-14-5-3-13(18)4-6-14/h3-10H,18H2,1-2H3
InChIKeyBOTJUIARPXTOPZ-UHFFFAOYSA-N
XLogP4.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6,8-dimethylquinolin-4-yl)oxyaniline 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

3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
CID 54773209
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
5-[[4-(6,8-dimethylquinolin-4-yl)oxy-2-ethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 143665418
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
CID 157160693
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
CID 167343301

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethylquinolin-4-yl)oxyaniline?
The IUPAC name of 4-(6,8-dimethylquinolin-4-yl)oxyaniline (CID 54773300) is 4-(6,8-dimethylquinolin-4-yl)oxyaniline.
What is the SMILES notation for 4-(6,8-dimethylquinolin-4-yl)oxyaniline?
The canonical SMILES for 4-(6,8-dimethylquinolin-4-yl)oxyaniline is Cc1cc(C)c2nccc(Oc3ccc(N)cc3)c2c1.
What is the InChIKey of 4-(6,8-dimethylquinolin-4-yl)oxyaniline?
The InChIKey is BOTJUIARPXTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-9-12(2)17-15(10-11)16(7-8-19-17)20-14-5-3-13(18)4-6-14/h3-10H,18H2,1-2H3.
What are the key properties of 4-(6,8-dimethylquinolin-4-yl)oxyaniline?
4-(6,8-dimethylquinolin-4-yl)oxyaniline has a molecular weight of 264.33 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethylquinolin-4-yl)oxyaniline is sourced from PubChem (CID 54773300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).