N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide

C21H24N2O3 — CID 15572886

IUPACN-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
SMILESCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-11-12-19-16(15-18)10-13-20(24)22-19/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyHNQSODCQVKEZGB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds7

About N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide

N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide (PubChem CID 15572886) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
PubChem CID15572886
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
SMILESCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-11-12-19-16(15-18)10-13-20(24)22-19/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,22,24)
InChIKeyHNQSODCQVKEZGB-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
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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Related Compounds

N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 13200337
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
1-[methyl-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539489
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 97254517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The IUPAC name of N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide (CID 15572886) is N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide.
What is the SMILES notation for N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The canonical SMILES for N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide is CCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The InChIKey is HNQSODCQVKEZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-23(17-7-4-3-5-8-17)21(25)9-6-14-26-18-11-12-19-16(15-18)10-13-20(24)22-19/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 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-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide is sourced from PubChem (CID 15572886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).