N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C19H18N2O4 — CID 2558401

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyIOKPKVSTRDCKNE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2558401) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2558401
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyIOKPKVSTRDCKNE-UHFFFAOYSA-N
XLogP2.35
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 2558401) is N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide is COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is IOKPKVSTRDCKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2558401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).