2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide

C23H23F2N3O3 — CID 56585771

IUPAC2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCCCOc1cccc2cccnc12
InChIInChI=1S/C23H23F2N3O3/c24-17-9-10-18(19(25)15-17)23(30)28-12-3-8-21(29)26-13-4-14-31-20-7-1-5-16-6-2-11-27-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29)(H,28,30)
InChIKeyQNMCLNJZTSFQRD-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.61
Rot. Bonds10

About 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide

2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide (PubChem CID 56585771) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
PubChem CID56585771
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCCCOc1cccc2cccnc12
InChIInChI=1S/C23H23F2N3O3/c24-17-9-10-18(19(25)15-17)23(30)28-12-3-8-21(29)26-13-4-14-31-20-7-1-5-16-6-2-11-27-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29)(H,28,30)
InChIKeyQNMCLNJZTSFQRD-UHFFFAOYSA-N
XLogP3.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.61
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

4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 38539516
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
2,4-difluoro-N-[4-oxo-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]butyl]benzamide
CID 55931924
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585347
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide (CID 56585771) is 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
The InChIKey is QNMCLNJZTSFQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c24-17-9-10-18(19(25)15-17)23(30)28-12-3-8-21(29)26-13-4-14-31-20-7-1-5-16-6-2-11-27-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29)(H,28,30).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide has a molecular weight of 427.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide is sourced from PubChem (CID 56585771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).