N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide

C26H24N4O4 — CID 142087413

IUPACN-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccccc2C(=O)NC(CC(=O)NO)c2ccncc2)c2ccccc2n1
InChIInChI=1S/C26H24N4O4/c1-17-14-19(20-6-2-4-8-22(20)28-17)16-34-24-9-5-3-7-21(24)26(32)29-23(15-25(31)30-33)18-10-12-27-13-11-18/h2-14,23,33H,15-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyQEWIETJQJNQTGG-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.88
Rot. Bonds8

About N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 142087413) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID142087413
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccccc2C(=O)NC(CC(=O)NO)c2ccncc2)c2ccccc2n1
InChIInChI=1S/C26H24N4O4/c1-17-14-19(20-6-2-4-8-22(20)28-17)16-34-24-9-5-3-7-21(24)26(32)29-23(15-25(31)30-33)18-10-12-27-13-11-18/h2-14,23,33H,15-16H2,1H3,(H,29,32)(H,30,31)
InChIKeyQEWIETJQJNQTGG-UHFFFAOYSA-N
XLogP3.88
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[4-acetamido-1-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 142087428
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-phenylacetyl)pyrrolidin-3-yl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 142087400
N-[3-(hydroxyamino)-3-oxo-1-(1-propan-2-ylpiperidin-4-yl)propyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10185599
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
4-[[2-(chloromethyl)phenoxy]methyl]-2-methylquinoline
CID 79231433
N-[(1R)-2-hydroxy-1-phenylethyl]-2-[[6-[[2-[[(1R)-2-hydroxy-1-phenylethyl]carbamoyl]phenoxy]methyl]-2-pyridinyl]methoxy]benzamide
CID 11365555
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
CID 3102871
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[(2-methylquinolin-4-yl)methoxy]benzonitrile
CID 78961975
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
4-[(5-bromo-2-methylphenoxy)methyl]-2-methylquinoline
CID 107284170
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 142087413) is N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccccc2C(=O)NC(CC(=O)NO)c2ccncc2)c2ccccc2n1.
What is the InChIKey of N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is QEWIETJQJNQTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-17-14-19(20-6-2-4-8-22(20)28-17)16-34-24-9-5-3-7-21(24)26(32)29-23(15-25(31)30-33)18-10-12-27-13-11-18/h2-14,23,33H,15-16H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 456.50 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxyamino)-3-oxo-1-pyridin-4-ylpropyl]-2-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 142087413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).