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

C33H36N4O5 — CID 90668111

IUPAC(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(-c2cc(COc3ccc([C@]4(N)CCN([C@H](CC(C)C)C(=O)NO)C4=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C33H36N4O5/c1-21(2)18-30(31(38)36-40)37-17-16-33(34,32(37)39)24-10-14-26(15-11-24)42-20-23-19-29(22-8-12-25(41-3)13-9-22)35-28-7-5-4-6-27(23)28/h4-15,19,21,30,40H,16-18,20,34H2,1-3H3,(H,36,38)/t30-,33-/m1/s1
InChIKeyRTJSBERXRPXCHO-LXANVCGNSA-N
MW568.67 g/mol
LogP4.80
Rot. Bonds10

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

(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 90668111) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)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-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID90668111
Molecular FormulaC33H36N4O5
Molecular Weight568.67 g/mol
Exact Mass568.27
IUPAC Name(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCOc1ccc(-c2cc(COc3ccc([C@]4(N)CCN([C@H](CC(C)C)C(=O)NO)C4=O)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C33H36N4O5/c1-21(2)18-30(31(38)36-40)37-17-16-33(34,32(37)39)24-10-14-26(15-11-24)42-20-23-19-29(22-8-12-25(41-3)13-9-22)35-28-7-5-4-6-27(23)28/h4-15,19,21,30,40H,16-18,20,34H2,1-3H3,(H,36,38)/t30-,33-/m1/s1
InChIKeyRTJSBERXRPXCHO-LXANVCGNSA-N
XLogP4.80
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.67
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)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-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 90668111) is (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is COc1ccc(-c2cc(COc3ccc([C@]4(N)CCN([C@H](CC(C)C)C(=O)NO)C4=O)cc3)c3ccccc3n2)cc1.
What is the InChIKey of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is RTJSBERXRPXCHO-LXANVCGNSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-21(2)18-30(31(38)36-40)37-17-16-33(34,32(37)39)24-10-14-26(15-11-24)42-20-23-19-29(22-8-12-25(41-3)13-9-22)35-28-7-5-4-6-27(23)28/h4-15,19,21,30,40H,16-18,20,34H2,1-3H3,(H,36,38)/t30-,33-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
(2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 568.67 g/mol, XLogP of 4.80, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-amino-3-[4-[[2-(4-methoxyphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 90668111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).