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

C25H31N3O3 — CID 55674201

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C25H31N3O3/c29-24(26-21-7-4-6-19(16-21)18-28-13-2-1-3-14-28)8-5-15-31-22-10-11-23-20(17-22)9-12-25(30)27-23/h4,6-7,10-11,16-17H,1-3,5,8-9,12-15,18H2,(H,26,29)(H,27,30)
InChIKeyKDUOUDCDUYUGNG-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.35
Rot. Bonds8

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

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide (PubChem CID 55674201) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide
PubChem CID55674201
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C25H31N3O3/c29-24(26-21-7-4-6-19(16-21)18-28-13-2-1-3-14-28)8-5-15-31-22-10-11-23-20(17-22)9-12-25(30)27-23/h4,6-7,10-11,16-17H,1-3,5,8-9,12-15,18H2,(H,26,29)(H,27,30)
InChIKeyKDUOUDCDUYUGNG-UHFFFAOYSA-N
XLogP4.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55609152
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 55972180
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
6-[4-oxo-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 55595558
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
7-(4-oxo-4-piperidin-1-ylbutoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880240
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide (CID 55674201) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide is O=C(CCCOc1ccc2c(c1)CCC(=O)N2)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is KDUOUDCDUYUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c29-24(26-21-7-4-6-19(16-21)18-28-13-2-1-3-14-28)8-5-15-31-22-10-11-23-20(17-22)9-12-25(30)27-23/h4,6-7,10-11,16-17H,1-3,5,8-9,12-15,18H2,(H,26,29)(H,27,30).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide?
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 421.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 55674201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).