N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C29H29F6N5O10 — CID 18379070

About N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 18379070) has the molecular formula C29H29F6N5O10 and a molecular weight of 721.56 g/mol. Its IUPAC name is N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 18379070
• Molecular Formula: C29H29F6N5O10
• Molecular Weight: 721.56 g/mol
• Exact Mass: 721.18
• IUPAC Name: N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CNC(C(=O)NO)C3)cc2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H27N5O6.2C2HF3O2/c1-15-10-17(19-4-2-3-5-20(19)27-15)13-36-18-8-6-16(7-9-18)23(32)28-25(12-22(31)29-34)11-21(26-14-25)24(33)30-35;2*3-2(4,5)1(6)7/h2-10,21,26,34-35H,11-14H2,1H3,(H,28,32)(H,29,31)(H,30,33);2*(H,6,7)
• InChIKey: QWWILGXJZHOMLK-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 236.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.56
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

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 N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 18379070) is N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CNC(C(=O)NO)C3)cc2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is QWWILGXJZHOMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6.2C2HF3O2/c1-15-10-17(19-4-2-3-5-20(19)27-15)13-36-18-8-6-16(7-9-18)23(32)28-25(12-22(31)29-34)11-21(26-14-25)24(33)30-35;2*3-2(4,5)1(6)7/h2-10,21,26,34-35H,11-14H2,1H3,(H,28,32)(H,29,31)(H,30,33);2*(H,6,7).

What are the key properties of N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 721.56 g/mol, XLogP of 2.62, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[2-(hydroxyamino)-2-oxoethyl]-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 18379070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).