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

C23H28N2O3 — CID 13200337

IUPACN-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
SMILESCCCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-25(19-8-5-4-6-9-19)23(27)10-7-16-28-20-12-13-21-18(17-20)11-14-22(26)24-21/h4-6,8-9,12-13,17H,2-3,7,10-11,14-16H2,1H3,(H,24,26)
InChIKeyVWCNXDXKHJCTCM-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.56
Rot. Bonds9

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

N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide (PubChem CID 13200337) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide.

Molecular Properties

Compound NameN-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
PubChem CID13200337
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
SMILESCCCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-2-3-15-25(19-8-5-4-6-9-19)23(27)10-7-16-28-20-12-13-21-18(17-20)11-14-22(26)24-21/h4-6,8-9,12-13,17H,2-3,7,10-11,14-16H2,1H3,(H,24,26)
InChIKeyVWCNXDXKHJCTCM-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.56
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-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55595871
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
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[2-(diethylamino)-3-phenylpropyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55932562
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The IUPAC name of N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide (CID 13200337) is N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide.
What is the SMILES notation for N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The canonical SMILES for N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide is CCCCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1ccccc1.
What is the InChIKey of N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
The InChIKey is VWCNXDXKHJCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-3-15-25(19-8-5-4-6-9-19)23(27)10-7-16-28-20-12-13-21-18(17-20)11-14-22(26)24-21/h4-6,8-9,12-13,17H,2-3,7,10-11,14-16H2,1H3,(H,24,26).
What are the key properties of N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide?
N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide is sourced from PubChem (CID 13200337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).