3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline

C17H16N2O2 — CID 54773209

IUPAC3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
SMILESCOc1cc(C)cc2c(Oc3cccc(N)c3)ccnc12
InChIInChI=1S/C17H16N2O2/c1-11-8-14-15(21-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)20-2/h3-10H,18H2,1-2H3
InChIKeyLHCOVTPZYWUATD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.93
Rot. Bonds3

About 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline

3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline (PubChem CID 54773209) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
PubChem CID54773209
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
SMILESCOc1cc(C)cc2c(Oc3cccc(N)c3)ccnc12
InChIInChI=1S/C17H16N2O2/c1-11-8-14-15(21-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)20-2/h3-10H,18H2,1-2H3
InChIKeyLHCOVTPZYWUATD-UHFFFAOYSA-N
XLogP3.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.93
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-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine
CID 54773326
3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773198
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-(3-aminophenoxy)-N-methyl-1,7-naphthyridin-8-amine
CID 141279533
8-methoxy-4,6-dimethylquinoline
CID 58053088
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
3-(6-methoxypyrimidin-4-yl)oxyaniline
CID 66319653
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
4-(3-methylphenoxy)quinoline
CID 12798303
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
3-(4-methoxypyrimidin-2-yl)oxyaniline
CID 16772312

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline?
The IUPAC name of 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline (CID 54773209) is 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline.
What is the SMILES notation for 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline?
The canonical SMILES for 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline is COc1cc(C)cc2c(Oc3cccc(N)c3)ccnc12.
What is the InChIKey of 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline?
The InChIKey is LHCOVTPZYWUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-8-14-15(21-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)20-2/h3-10H,18H2,1-2H3.
What are the key properties of 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline?
3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline has a molecular weight of 280.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline is sourced from PubChem (CID 54773209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).