N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide

C24H25N3O4 — CID 22616988

IUPACN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
SMILESCc1cc(COc2ccc(CC(=O)C3CCCN3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(20-5-2-3-6-21(20)25-16)15-31-19-10-8-17(9-11-19)14-23(28)22-7-4-12-27(22)24(29)26-30/h2-3,5-6,8-11,13,22,30H,4,7,12,14-15H2,1H3,(H,26,29)
InChIKeyYZJRODZUAZXWLU-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.80
Rot. Bonds6

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

N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide (PubChem CID 22616988) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
PubChem CID22616988
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide
SMILESCc1cc(COc2ccc(CC(=O)C3CCCN3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(20-5-2-3-6-21(20)25-16)15-31-19-10-8-17(9-11-19)14-23(28)22-7-4-12-27(22)24(29)26-30/h2-3,5-6,8-11,13,22,30H,4,7,12,14-15H2,1H3,(H,26,29)
InChIKeyYZJRODZUAZXWLU-UHFFFAOYSA-N
XLogP3.80
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.80
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-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
CID 10181303
benzyl (3R)-3-(hydroxycarbamoyl)-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]diazinane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 161090120
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
(2R,3R)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 87978056
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
(2R,3R)-1-(cyclopropylmethyl)-3-N-hydroxy-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
CID 87977443
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
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide (CID 22616988) is N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide is Cc1cc(COc2ccc(CC(=O)C3CCCN3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide?
The InChIKey is YZJRODZUAZXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-13-18(20-5-2-3-6-21(20)25-16)15-31-19-10-8-17(9-11-19)14-23(28)22-7-4-12-27(22)24(29)26-30/h2-3,5-6,8-11,13,22,30H,4,7,12,14-15H2,1H3,(H,26,29).
What are the key properties of N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide?
N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 22616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).