2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide

C24H24F2N4O2 — CID 55513642

IUPAC2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O2/c25-19-6-7-20(21(26)15-19)24(32)28-10-8-22(31)30-13-11-29(12-14-30)16-18-4-1-3-17-5-2-9-27-23(17)18/h1-7,9,15H,8,10-14,16H2,(H,28,32)
InChIKeyGGTQXDOOJGDGKW-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.98
Rot. Bonds6

About 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide (PubChem CID 55513642) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
PubChem CID55513642
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O2/c25-19-6-7-20(21(26)15-19)24(32)28-10-8-22(31)30-13-11-29(12-14-30)16-18-4-1-3-17-5-2-9-27-23(17)18/h1-7,9,15H,8,10-14,16H2,(H,28,32)
InChIKeyGGTQXDOOJGDGKW-UHFFFAOYSA-N
XLogP2.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
2,4-difluoro-N-[3-oxo-3-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]propyl]benzamide
CID 41492581
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
2,4-dimethyl-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55513056
2,4-difluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55550622
[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 121290744
2,4-difluoro-N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55428497
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 38067417
N-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 55376798
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
2,4-difluoro-N-[4-oxo-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]butyl]benzamide
CID 55931924

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide (CID 55513642) is 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCN(Cc2cccc3cccnc23)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is GGTQXDOOJGDGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c25-19-6-7-20(21(26)15-19)24(32)28-10-8-22(31)30-13-11-29(12-14-30)16-18-4-1-3-17-5-2-9-27-23(17)18/h1-7,9,15H,8,10-14,16H2,(H,28,32).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 438.48 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 55513642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).