N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide

C19H18N2O2 — CID 2295236

IUPACN-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-14-6-2-5-9-18(14)23-13-12-20-19(22)17-11-10-15-7-3-4-8-16(15)21-17/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyCUAAOUQGDUPYKX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide

N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide (PubChem CID 2295236) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
PubChem CID2295236
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
SMILESCc1ccccc1OCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H18N2O2/c1-14-6-2-5-9-18(14)23-13-12-20-19(22)17-11-10-15-7-3-4-8-16(15)21-17/h2-11H,12-13H2,1H3,(H,20,22)
InChIKeyCUAAOUQGDUPYKX-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
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-methylphenoxy)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide (CID 2295236) is N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide is Cc1ccccc1OCCNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide?
The InChIKey is CUAAOUQGDUPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-6-2-5-9-18(14)23-13-12-20-19(22)17-11-10-15-7-3-4-8-16(15)21-17/h2-11H,12-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide?
N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 2295236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).