4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide

C25H21FN2O4 — CID 162479710

IUPAC4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)C(CCc3ccccc3)C(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C25H21FN2O4/c26-19-11-13-22-21(14-19)23(29)20(12-8-16-4-2-1-3-5-16)25(31)28(22)15-17-6-9-18(10-7-17)24(30)27-32/h1-7,9-11,13-14,20,32H,8,12,15H2,(H,27,30)
InChIKeyTWICSCHUHCYFGL-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.92
Rot. Bonds6

About 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide

4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 162479710) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID162479710
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)C(CCc3ccccc3)C(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C25H21FN2O4/c26-19-11-13-22-21(14-19)23(29)20(12-8-16-4-2-1-3-5-16)25(31)28(22)15-17-6-9-18(10-7-17)24(30)27-32/h1-7,9-11,13-14,20,32H,8,12,15H2,(H,27,30)
InChIKeyTWICSCHUHCYFGL-UHFFFAOYSA-N
XLogP3.92
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-benzyl-3-[chloro(phenyl)methylidene]-5-fluoroindol-2-one
CID 177422444
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
CID 151543423
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669331
4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93061590
N'-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzohydrazide
CID 2492890
1-benzyl-2,3-dioxoindole-5-carboxylic acid
CID 11708944
4-[(6-bromo-2-oxo-3,4-dihydroquinolin-1-yl)methyl]-N-hydroxybenzamide
CID 164609818
2-[2-[(3aS,10aR)-5-benzyl-4-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-10-yl]-2-oxoethyl]-5-fluoroisoindole-1,3-dione
CID 70111456
2-benzyl-N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645868
N-hydroxy-4-[(5-oxophenothiazin-10-yl)methyl]benzamide
CID 155536301
4-[(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53031527

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide (CID 162479710) is 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)C(CCc3ccccc3)C(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is TWICSCHUHCYFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c26-19-11-13-22-21(14-19)23(29)20(12-8-16-4-2-1-3-5-16)25(31)28(22)15-17-6-9-18(10-7-17)24(30)27-32/h1-7,9-11,13-14,20,32H,8,12,15H2,(H,27,30).
What are the key properties of 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide?
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 432.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162479710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).