N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C24H25N3O4 — CID 78892163

IUPACN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H25N3O4/c28-22(7-4-8-24-26-16-21(31-24)17-5-2-1-3-6-17)25-13-14-30-19-10-11-20-18(15-19)9-12-23(29)27-20/h1-3,5-6,10-11,15-16H,4,7-9,12-14H2,(H,25,28)(H,27,29)
InChIKeyOZRLOQYWLUHSJR-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.74
Rot. Bonds9

About N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 78892163) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID78892163
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H25N3O4/c28-22(7-4-8-24-26-16-21(31-24)17-5-2-1-3-6-17)25-13-14-30-19-10-11-20-18(15-19)9-12-23(29)27-20/h1-3,5-6,10-11,15-16H,4,7-9,12-14H2,(H,25,28)(H,27,29)
InChIKeyOZRLOQYWLUHSJR-UHFFFAOYSA-N
XLogP3.74
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 78892160
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
2-oxo-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86980186
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
CID 110788637
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
CID 78892122
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
7-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]heptanoic acid
CID 71936315

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 78892163) is N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is O=C(CCCc1ncc(-c2ccccc2)o1)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is OZRLOQYWLUHSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(7-4-8-24-26-16-21(31-24)17-5-2-1-3-6-17)25-13-14-30-19-10-11-20-18(15-19)9-12-23(29)27-20/h1-3,5-6,10-11,15-16H,4,7-9,12-14H2,(H,25,28)(H,27,29).
What are the key properties of N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 419.48 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 78892163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).