(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C32H33FN4O4 — CID 90668110

IUPAC(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C32H33FN4O4/c1-20(2)17-29(30(38)36-40)37-16-15-32(34,31(37)39)23-9-13-25(14-10-23)41-19-22-18-28(21-7-11-24(33)12-8-21)35-27-6-4-3-5-26(22)27/h3-14,18,20,29,40H,15-17,19,34H2,1-2H3,(H,36,38)/t29-,32-/m1/s1
InChIKeyNJSAMWMIGHGVMS-QLWXXVCSSA-N
MW556.64 g/mol
LogP4.93
Rot. Bonds9

About (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 90668110) has the molecular formula C32H33FN4O4 and a molecular weight of 556.64 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID90668110
Molecular FormulaC32H33FN4O4
Molecular Weight556.64 g/mol
Exact Mass556.25
IUPAC Name(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)C1=O
InChIInChI=1S/C32H33FN4O4/c1-20(2)17-29(30(38)36-40)37-16-15-32(34,31(37)39)23-9-13-25(14-10-23)41-19-22-18-28(21-7-11-24(33)12-8-21)35-27-6-4-3-5-26(22)27/h3-14,18,20,29,40H,15-17,19,34H2,1-2H3,(H,36,38)/t29-,32-/m1/s1
InChIKeyNJSAMWMIGHGVMS-QLWXXVCSSA-N
XLogP4.93
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.64
LogP ≤ 54.93
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'}

Analyze (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 90668110) is (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)C1=O.
What is the InChIKey of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is NJSAMWMIGHGVMS-QLWXXVCSSA-N. The full InChI is InChI=1S/C32H33FN4O4/c1-20(2)17-29(30(38)36-40)37-16-15-32(34,31(37)39)23-9-13-25(14-10-23)41-19-22-18-28(21-7-11-24(33)12-8-21)35-27-6-4-3-5-26(22)27/h3-14,18,20,29,40H,15-17,19,34H2,1-2H3,(H,36,38)/t29-,32-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 556.64 g/mol, XLogP of 4.93, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-fluorophenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 90668110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).