(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide|(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROL...

General Information

Structure

Molecular Formula

C₂₅H₂₇N₃O₄

Molecular Mass

433.49958

Exact Mass

433.20015636

Charge

InChI

InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1

InChIKey

YDMIPBHQKFOFQW-NSYGIPOTSA-N

Canonic Smiles

ONC(=O)[C@H](N1CC[C@@](C1=O)(C)c1ccc(cc1)OCc1cc(C)nc2c1cccc2)C

Isomeric Smiles

c1cccc2c1nc(C)cc2COc1ccc(cc1)[C@@]1(CCN(C1=O)[C@@H](C(=O)NO)C)C

Calculated Properties

JChem

LogD (pH = 7.4)

2.95

LogD (pH = 5.5)

2.85

Log P

2.97

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

8.72

Polar Surface Area

91.76

Polarizability

47.55

Molar Refractivity

120.08

LOG S

-4.46

Data Source

Academic Data

Data Source

Names and Identifiers

IUPAC name

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide

Synonyms

(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide(2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE

IUPAC Traditional name

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide

Names and Identifiers

Registration numbers

PubChem SID

9944361616096823026744284

PubChem CID

6914621

Beilstein Number

9298132

CHEMBL

CHEMBL148169