4-[3-(methoxymethyl)phenoxy]quinolin-8-amine

C17H16N2O2 — CID 83066383

IUPAC4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
SMILESCOCc1cccc(Oc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C17H16N2O2/c1-20-11-12-4-2-5-13(10-12)21-16-8-9-19-17-14(16)6-3-7-15(17)18/h2-10H,11,18H2,1H3
InChIKeyOMKUAPQIMZHFTD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.76
Rot. Bonds4

About 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine

4-[3-(methoxymethyl)phenoxy]quinolin-8-amine (PubChem CID 83066383) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
PubChem CID83066383
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
SMILESCOCc1cccc(Oc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C17H16N2O2/c1-20-11-12-4-2-5-13(10-12)21-16-8-9-19-17-14(16)6-3-7-15(17)18/h2-10H,11,18H2,1H3
InChIKeyOMKUAPQIMZHFTD-UHFFFAOYSA-N
XLogP3.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.76
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-4-yl)oxyphenyl]methanol
CID 83060557
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
3-(8-aminoquinolin-4-yl)oxy-N-benzylbenzamide
CID 155779006
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
CID 83060401
4-(2,3-dihydro-1H-inden-5-yloxy)quinolin-8-amine
CID 83066371
4-[3-(methoxymethyl)phenoxy]quinolin-3-amine
CID 103963726
[2-[3-(methoxymethyl)phenoxy]pyrimidin-4-yl]methanamine
CID 107542682
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344
3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773198

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine (CID 83066383) is 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine is COCc1cccc(Oc2ccnc3c(N)cccc23)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine?
The InChIKey is OMKUAPQIMZHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-11-12-4-2-5-13(10-12)21-16-8-9-19-17-14(16)6-3-7-15(17)18/h2-10H,11,18H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine?
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine has a molecular weight of 280.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]quinolin-8-amine is sourced from PubChem (CID 83066383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).