N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C26H28N4O5 — CID 10322745

IUPACN-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCC(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1
InChIInChI=1S/C26H28N4O5/c1-17-13-20(22-5-3-4-6-23(22)27-17)15-35-21-9-7-19(8-10-21)25(33)28-26(14-24(32)29-34)11-12-30(16-26)18(2)31/h3-10,13,34H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyFQELVRJWPOYPMW-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.74
Rot. Bonds7

About N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10322745) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10322745
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCC(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1
InChIInChI=1S/C26H28N4O5/c1-17-13-20(22-5-3-4-6-23(22)27-17)15-35-21-9-7-19(8-10-21)25(33)28-26(14-24(32)29-34)11-12-30(16-26)18(2)31/h3-10,13,34H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyFQELVRJWPOYPMW-UHFFFAOYSA-N
XLogP2.74
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.74
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-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-phenylacetyl)pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10257048
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379235
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-propan-2-ylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379215
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379313
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-methylsulfonylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379181
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-phenylpiperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 18379225
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10051573
[[2-[1-acetyl-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidin-3-yl]acetyl]amino] 2,2,2-trifluoroacetate
CID 91604720
N-[3-[2-(hydroxyamino)-2-oxoethyl]thian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10457222
N-[1-[2-(hydroxyamino)-2-oxoethyl]cycloheptyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 18379321
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1,1-dioxothian-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10028828
N-[3-[2-(hydroxyamino)-2-oxoethyl]-5-methylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10388969

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10322745) is N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CC(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1.
What is the InChIKey of N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is FQELVRJWPOYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-17-13-20(22-5-3-4-6-23(22)27-17)15-35-21-9-7-19(8-10-21)25(33)28-26(14-24(32)29-34)11-12-30(16-26)18(2)31/h3-10,13,34H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 476.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-3-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10322745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).