(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide

C30H35N5O6 — CID 87907290

About (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide

(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide (PubChem CID 87907290) has the molecular formula C30H35N5O6 and a molecular weight of 561.64 g/mol. Its IUPAC name is (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
• PubChem CID: 87907290
• Molecular Formula: C30H35N5O6
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.26
• IUPAC Name: (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
• SMILES: Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(CC(=O)N4CCOCC4)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
• InChI: InChI=1S/C30H35N5O6/c1-20-16-22(24-4-2-3-5-26(24)31-20)19-41-23-8-6-21(7-9-23)29(37)32-27-17-34(11-10-25(27)30(38)33-39)18-28(36)35-12-14-40-15-13-35/h2-9,16,25,27,39H,10-15,17-19H2,1H3,(H,32,37)(H,33,38)/t25-,27+/m0/s1
• InChIKey: OCPCGVLJKLQGAJ-AHKZPQOWSA-N
• XLogP: 1.91
• TPSA: 133.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The IUPAC name of (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide (CID 87907290) is (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide.

What is the SMILES notation for (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The canonical SMILES for (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(CC(=O)N4CCOCC4)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.

What is the InChIKey of (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The InChIKey is OCPCGVLJKLQGAJ-AHKZPQOWSA-N. The full InChI is InChI=1S/C30H35N5O6/c1-20-16-22(24-4-2-3-5-26(24)31-20)19-41-23-8-6-21(7-9-23)29(37)32-27-17-34(11-10-25(27)30(38)33-39)18-28(36)35-12-14-40-15-13-35/h2-9,16,25,27,39H,10-15,17-19H2,1H3,(H,32,37)(H,33,38)/t25-,27+/m0/s1.

What are the key properties of (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide has a molecular weight of 561.64 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide is sourced from PubChem (CID 87907290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).