N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide

C20H20N2O2 — CID 2174479

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-15(2)19(14)24-13-12-21-20(23)18-11-10-16-8-3-4-9-17(16)22-18/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyHZFLAEIPPQDZSL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide (PubChem CID 2174479) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide
PubChem CID2174479
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-15(2)19(14)24-13-12-21-20(23)18-11-10-16-8-3-4-9-17(16)22-18/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyHZFLAEIPPQDZSL-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide (CID 2174479) is N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide is Cc1cccc(C)c1OCCNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide?
The InChIKey is HZFLAEIPPQDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-5-7-15(2)19(14)24-13-12-21-20(23)18-11-10-16-8-3-4-9-17(16)22-18/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 2174479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).