2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide

C19H18N2O2 — CID 2219009

IUPAC2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-9-14(2)11-16(10-13)23-12-18(22)21-17-7-3-5-15-6-4-8-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWOQFNLQXWDSLKN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.87
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide

2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide (PubChem CID 2219009) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide
PubChem CID2219009
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C19H18N2O2/c1-13-9-14(2)11-16(10-13)23-12-18(22)21-17-7-3-5-15-6-4-8-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWOQFNLQXWDSLKN-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide (CID 2219009) is 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide is Cc1cc(C)cc(OCC(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide?
The InChIKey is WOQFNLQXWDSLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-9-14(2)11-16(10-13)23-12-18(22)21-17-7-3-5-15-6-4-8-20-19(15)17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide?
2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide has a molecular weight of 306.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 2219009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).