N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide

C22H26N2O4 — CID 31905955

IUPACN-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-24(13-15-28-18-6-3-2-4-7-18)22(26)8-5-14-27-19-10-11-20-17(16-19)9-12-21(25)23-20/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,23,25)
InChIKeyIGTLKVJLFSXXLJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.27
Rot. Bonds9

About N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide

N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide (PubChem CID 31905955) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
PubChem CID31905955
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
SMILESCN(CCOc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-24(13-15-28-18-6-3-2-4-7-18)22(26)8-5-14-27-19-10-11-20-17(16-19)9-12-21(25)23-20/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,23,25)
InChIKeyIGTLKVJLFSXXLJ-UHFFFAOYSA-N
XLogP3.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 13200337
1-[methyl-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539489
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 31641805
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
6-[4-[methyl(2-phenoxyethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 70047920
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55678506
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
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-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide?
The IUPAC name of N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide (CID 31905955) is N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide.
What is the SMILES notation for N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide?
The canonical SMILES for N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide is CN(CCOc1ccccc1)C(=O)CCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide?
The InChIKey is IGTLKVJLFSXXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-24(13-15-28-18-6-3-2-4-7-18)22(26)8-5-14-27-19-10-11-20-17(16-19)9-12-21(25)23-20/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,23,25).
What are the key properties of N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide?
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide has a molecular weight of 382.46 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide is sourced from PubChem (CID 31905955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).