N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide

C21H22N2O3 — CID 20563550

IUPACN-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide
SMILESCCN(C(=O)CCCOc1ccc2ccc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-12-10-16-11-13-20(24)22-19(16)15-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,22,24)
InChIKeyKZURONQWLIKFQO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.74
Rot. Bonds7

About N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide

N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide (PubChem CID 20563550) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide
PubChem CID20563550
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide
SMILESCCN(C(=O)CCCOc1ccc2ccc(=O)[nH]c2c1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-12-10-16-11-13-20(24)22-19(16)15-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,22,24)
InChIKeyKZURONQWLIKFQO-UHFFFAOYSA-N
XLogP3.74
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.74
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-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide?
The IUPAC name of N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide (CID 20563550) is N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide.
What is the SMILES notation for N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide?
The canonical SMILES for N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide is CCN(C(=O)CCCOc1ccc2ccc(=O)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide?
The InChIKey is KZURONQWLIKFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-12-10-16-11-13-20(24)22-19(16)15-18/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,22,24).
What are the key properties of N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide?
N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide has a molecular weight of 350.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-oxo-1H-quinolin-7-yl)oxy]-N-phenylbutanamide is sourced from PubChem (CID 20563550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).