(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C27H31N5O4 — CID 91465181

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@H]3CN(C4CCNC4)C[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-24(22)29-17)16-36-21-8-6-18(7-9-21)26(33)30-25-15-32(20-10-11-28-13-20)14-23(25)27(34)31-35/h2-9,12,20,23,25,28,35H,10-11,13-16H2,1H3,(H,30,33)(H,31,34)/t20?,23-,25+/m1/s1
InChIKeyOFJXVJFSDXOZNP-CSGRTZOKSA-N
MW489.58 g/mol
LogP2.02
Rot. Bonds7

About (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 91465181) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID91465181
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@H]3CN(C4CCNC4)C[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-24(22)29-17)16-36-21-8-6-18(7-9-21)26(33)30-25-15-32(20-10-11-28-13-20)14-23(25)27(34)31-35/h2-9,12,20,23,25,28,35H,10-11,13-16H2,1H3,(H,30,33)(H,31,34)/t20?,23-,25+/m1/s1
InChIKeyOFJXVJFSDXOZNP-CSGRTZOKSA-N
XLogP2.02
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.02
H-Bond Donors ≤ 54
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 (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 20729869
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
tert-butyl (3S,4R)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 87907383
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 87907354
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(oxan-4-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 20729884
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 90944491
N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
tert-butyl 2-[(3S,4S)-4-(hydroxycarbamoyl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidin-1-yl]-2-methylpropanoate;bis(2,2,2-trifluoroacetic acid)
CID 20729890

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 91465181) is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C4CCNC4)C[C@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is OFJXVJFSDXOZNP-CSGRTZOKSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17-12-19(22-4-2-3-5-24(22)29-17)16-36-21-8-6-18(7-9-21)26(33)30-25-15-32(20-10-11-28-13-20)14-23(25)27(34)31-35/h2-9,12,20,23,25,28,35H,10-11,13-16H2,1H3,(H,30,33)(H,31,34)/t20?,23-,25+/m1/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91465181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).