N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide

C25H27N3O4 — CID 10181303

IUPACN-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
SMILESCc1cc(COc2ccc(CC(=O)N3CCCC3CC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4/c1-17-13-19(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-25(30)28-12-4-5-20(28)15-24(29)27-31/h2-3,6-11,13,20,31H,4-5,12,14-16H2,1H3,(H,27,29)
InChIKeyQZQGMKPEAJFNIG-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.55
Rot. Bonds7

About N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide

N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide (PubChem CID 10181303) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
PubChem CID10181303
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
SMILESCc1cc(COc2ccc(CC(=O)N3CCCC3CC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4/c1-17-13-19(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-25(30)28-12-4-5-20(28)15-24(29)27-31/h2-3,6-11,13,20,31H,4-5,12,14-16H2,1H3,(H,27,29)
InChIKeyQZQGMKPEAJFNIG-UHFFFAOYSA-N
XLogP3.55
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
CID 22616988
N-hydroxy-2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetamide;2-[2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]-1,3-dihydroisoindol-1-yl]acetic acid
CID 159429483
benzyl (3R)-3-(hydroxycarbamoyl)-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]diazinane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 161090120
N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-phenylacetyl)pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10257048
N-hydroxy-2-[(3S)-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetamide
CID 25116790
N-[(3R,4S)-1-(2,2-dimethylpropanoyl)-4-[2-(hydroxyamino)-2-oxoethyl]piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969105
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-[(3S,4S)-1-butyl-4-[2-(hydroxyamino)-2-oxoethyl]pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969121
N-[(3S,4S)-4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969168
N-[(3S,4S)-4-[2-(hydroxyamino)-2-oxoethyl]-1-(3-methylbutyl)pyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969207
cis-ethyl (1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1S,2R)-N-hydroxy-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 162192595
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
CID 139965418

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide (CID 10181303) is N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide is Cc1cc(COc2ccc(CC(=O)N3CCCC3CC(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide?
The InChIKey is QZQGMKPEAJFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17-13-19(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-25(30)28-12-4-5-20(28)15-24(29)27-31/h2-3,6-11,13,20,31H,4-5,12,14-16H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide?
N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 10181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).