N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide

C24H25N3O4 — CID 101337934

IUPACN-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
SMILESCc1cc(COc2ccc(N3CC[C@@H]([C@H](C)N(O)C=O)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(22-5-3-4-6-23(22)25-16)14-31-20-9-7-19(8-10-20)26-12-11-21(24(26)29)17(2)27(30)15-28/h3-10,13,15,17,21,30H,11-12,14H2,1-2H3/t17-,21-/m0/s1
InChIKeyQTGLVPVEYPPUEP-UWJYYQICSA-N
MW419.48 g/mol
LogP3.71
Rot. Bonds7

About N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide

N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide (PubChem CID 101337934) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
PubChem CID101337934
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
SMILESCc1cc(COc2ccc(N3CC[C@@H]([C@H](C)N(O)C=O)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-16-13-18(22-5-3-4-6-23(22)25-16)14-31-20-9-7-19(8-10-20)26-12-11-21(24(26)29)17(2)27(30)15-28/h3-10,13,15,17,21,30H,11-12,14H2,1-2H3/t17-,21-/m0/s1
InChIKeyQTGLVPVEYPPUEP-UWJYYQICSA-N
XLogP3.71
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-tert-butylpiperidin-4-ylidene)-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpropan-2-yl]-N-hydroxyformamide
CID 101364306
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-hydroxy-N-[1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonyl-3-(oxan-4-ylidene)propan-2-yl]formamide
CID 23017979
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
CID 118559738
1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-6-carboxamide
CID 142189229
N-hydroxy-N-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylpyrrolidin-3-yl]formamide
CID 142241593
4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
CID 87916888
N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379189
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
(2S,3R)-6-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4-oxo-5-azaspiro[2.4]heptane-2-carboxylic acid
CID 25138241
N-[(3S,4S)-4-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 139969168

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide?
The IUPAC name of N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide (CID 101337934) is N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide?
The canonical SMILES for N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide is Cc1cc(COc2ccc(N3CC[C@@H]([C@H](C)N(O)C=O)C3=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide?
The InChIKey is QTGLVPVEYPPUEP-UWJYYQICSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-13-18(22-5-3-4-6-23(22)25-16)14-31-20-9-7-19(8-10-20)26-12-11-21(24(26)29)17(2)27(30)15-28/h3-10,13,15,17,21,30H,11-12,14H2,1-2H3/t17-,21-/m0/s1.
What are the key properties of N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide?
N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide has a molecular weight of 419.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide is sourced from PubChem (CID 101337934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).