(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide

C23H24N4O4 — CID 87907192

IUPAC(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3CNC[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21-/m1/s1
InChIKeyUUIVGJHXTSUZJO-TZIWHRDSSA-N
MW420.47 g/mol
LogP1.95
Rot. Bonds6

About (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide

(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide (PubChem CID 87907192) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
PubChem CID87907192
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3CNC[C@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21-/m1/s1
InChIKeyUUIVGJHXTSUZJO-TZIWHRDSSA-N
XLogP1.95
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.95
H-Bond Donors ≤ 54
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 (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-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

(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
N-[(1R,2R)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 87907404
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 91465181
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 20729869
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
(5S,7S,8R)-N-hydroxy-8-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-oxaspiro[4.4]nonane-7-carboxamide
CID 10140363
tert-butyl (3S,4R)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 87907383

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide (CID 87907192) is (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@@H]3CNC[C@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide?
The InChIKey is UUIVGJHXTSUZJO-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(28)26-21-12-24-11-19(21)23(29)27-30/h2-10,19,21,24,30H,11-13H2,1H3,(H,26,28)(H,27,29)/t19-,21-/m1/s1.
What are the key properties of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide?
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide is sourced from PubChem (CID 87907192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).