4-(3-methylphenoxy)quinolin-8-amine

C16H14N2O — CID 83061210

IUPAC4-(3-methylphenoxy)quinolin-8-amine
SMILESCc1cccc(Oc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14N2O/c1-11-4-2-5-12(10-11)19-15-8-9-18-16-13(15)6-3-7-14(16)17/h2-10H,17H2,1H3
InChIKeyQXLLSQKIXYOONG-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.92
Rot. Bonds2

About 4-(3-methylphenoxy)quinolin-8-amine

4-(3-methylphenoxy)quinolin-8-amine (PubChem CID 83061210) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-methylphenoxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)quinolin-8-amine
PubChem CID83061210
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(3-methylphenoxy)quinolin-8-amine
SMILESCc1cccc(Oc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14N2O/c1-11-4-2-5-12(10-11)19-15-8-9-18-16-13(15)6-3-7-14(16)17/h2-10H,17H2,1H3
InChIKeyQXLLSQKIXYOONG-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)quinolin-8-amine?
The IUPAC name of 4-(3-methylphenoxy)quinolin-8-amine (CID 83061210) is 4-(3-methylphenoxy)quinolin-8-amine.
What is the SMILES notation for 4-(3-methylphenoxy)quinolin-8-amine?
The canonical SMILES for 4-(3-methylphenoxy)quinolin-8-amine is Cc1cccc(Oc2ccnc3c(N)cccc23)c1.
What is the InChIKey of 4-(3-methylphenoxy)quinolin-8-amine?
The InChIKey is QXLLSQKIXYOONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-4-2-5-12(10-11)19-15-8-9-18-16-13(15)6-3-7-14(16)17/h2-10H,17H2,1H3.
What are the key properties of 4-(3-methylphenoxy)quinolin-8-amine?
4-(3-methylphenoxy)quinolin-8-amine has a molecular weight of 250.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)quinolin-8-amine is sourced from PubChem (CID 83061210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).