N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide

C27H31N3O4 — CID 118559738

IUPACN-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
SMILESCc1cc(COc2ccc(C3CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N3O4/c1-17(2)14-25(26(31)29-33)30-13-12-23(27(30)32)19-8-10-21(11-9-19)34-16-20-15-18(3)28-24-7-5-4-6-22(20)24/h4-11,15,17,23,25,33H,12-14,16H2,1-3H3,(H,29,31)
InChIKeyARCVQGNNSVFCFI-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.36
Rot. Bonds8

About N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide

N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide (PubChem CID 118559738) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
PubChem CID118559738
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC NameN-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
SMILESCc1cc(COc2ccc(C3CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N3O4/c1-17(2)14-25(26(31)29-33)30-13-12-23(27(30)32)19-8-10-21(11-9-19)34-16-20-15-18(3)28-24-7-5-4-6-22(20)24/h4-11,15,17,23,25,33H,12-14,16H2,1-3H3,(H,29,31)
InChIKeyARCVQGNNSVFCFI-UHFFFAOYSA-N
XLogP4.36
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.36
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

2-[3-amino-3-[4-[[2-(2,2-dimethylcyclopropyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11455368
2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10389612
(2R)-2-[(3R)-3-amino-2-oxo-3-[4-[(2-phenylmethoxyquinolin-4-yl)methoxy]phenyl]pyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 90668112
2-[3-amino-3-[4-[[2-(4-methylsulfanylphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11227054
N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 51030462
4-[(2S)-1-(hydroxyamino)-1-oxo-3-(sulfonylamino)propan-2-yl]piperazine-1-carboxylic acid;2-methyl-4-(phenoxymethyl)quinoline
CID 87185278
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
CID 142846836
N-[3-(hydroxyamino)-3-oxo-1-(1-propan-2-ylpiperidin-4-yl)propyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10185599
2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75304025

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide?
The IUPAC name of N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide (CID 118559738) is N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide.
What is the SMILES notation for N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide?
The canonical SMILES for N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide is Cc1cc(COc2ccc(C3CCN(C(CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide?
The InChIKey is ARCVQGNNSVFCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-17(2)14-25(26(31)29-33)30-13-12-23(27(30)32)19-8-10-21(11-9-19)34-16-20-15-18(3)28-24-7-5-4-6-22(20)24/h4-11,15,17,23,25,33H,12-14,16H2,1-3H3,(H,29,31).
What are the key properties of N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide?
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide has a molecular weight of 461.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide is sourced from PubChem (CID 118559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).