N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

C25H22N4O3 — CID 73301337

IUPACN-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N4O3/c30-24(28-32)17-11-9-16(10-12-17)15-29-22-8-4-3-7-21(22)27-25(31)23(29)13-18-14-26-20-6-2-1-5-19(18)20/h1-12,14,23,26,32H,13,15H2,(H,27,31)(H,28,30)
InChIKeyFNQMLIICTPUFAJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.86
Rot. Bonds5

About N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (PubChem CID 73301337) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
PubChem CID73301337
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N4O3/c30-24(28-32)17-11-9-16(10-12-17)15-29-22-8-4-3-7-21(22)27-25(31)23(29)13-18-14-26-20-6-2-1-5-19(18)20/h1-12,14,23,26,32H,13,15H2,(H,27,31)(H,28,30)
InChIKeyFNQMLIICTPUFAJ-UHFFFAOYSA-N
XLogP3.86
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-[[(2S)-2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 16661457
4-[[2-[(4-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
CID 73300935
N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 73300939
(E)-N-hydroxy-3-[4-[[5-(1H-indol-3-ylmethyl)-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 20579458
(6S)-1-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)piperazine-2,5-dione
CID 53304686
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
methyl 2-[(2R)-1-benzyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetate
CID 86593353
(5S)-1-acetyl-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 56949628
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (CID 73301337) is N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)C2Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The InChIKey is FNQMLIICTPUFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(28-32)17-11-9-16(10-12-17)15-29-22-8-4-3-7-21(22)27-25(31)23(29)13-18-14-26-20-6-2-1-5-19(18)20/h1-12,14,23,26,32H,13,15H2,(H,27,31)(H,28,30).
What are the key properties of N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(1H-indol-3-ylmethyl)-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is sourced from PubChem (CID 73301337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).