cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

C32H30N4O5 — CID 59978420

About cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 59978420) has the molecular formula C32H30N4O5 and a molecular weight of 550.62 g/mol. Its IUPAC name is cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 59978420
• Molecular Formula: C32H30N4O5
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.22
• IUPAC Name: cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
• SMILES: O=C1CN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)CCN1
• InChI: InChI=1S/C32H30N4O5/c37-29-19-36(15-14-33-29)31(39)32(18-26(32)30(38)35-40)17-21-10-12-24(13-11-21)41-20-23-16-28(22-6-2-1-3-7-22)34-27-9-5-4-8-25(23)27/h1-13,16,26,40H,14-15,17-20H2,(H,33,37)(H,35,38)/t26-,32+/m1/s1
• InChIKey: WDMLYLNCIGUNGS-DICHSLLOSA-N
• XLogP: 3.49
• TPSA: 120.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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 cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide (CID 59978420) is cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is O=C1CN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)CCN1.

What is the InChIKey of cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is WDMLYLNCIGUNGS-DICHSLLOSA-N. The full InChI is InChI=1S/C32H30N4O5/c37-29-19-36(15-14-33-29)31(39)32(18-26(32)30(38)35-40)17-21-10-12-24(13-11-21)41-20-23-16-28(22-6-2-1-3-7-22)34-27-9-5-4-8-25(23)27/h1-13,16,26,40H,14-15,17-20H2,(H,33,37)(H,35,38)/t26-,32+/m1/s1.

What are the key properties of cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide?

cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-N-hydroxy-2-(3-oxopiperazine-1-carbonyl)-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59978420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).