Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide

C₁₁₆H₁₂₆F₇N₁₅O₁₈ — CID 158891631

About Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide

Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 158891631) has the molecular formula C₁₁₆H₁₂₆F₇N₁₅O₁₈ and a molecular weight of 2151.36 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
• PubChem CID: 158891631
• Molecular Formula: C₁₁₆H₁₂₆F₇N₁₅O₁₈
• Molecular Weight: 2151.36 g/mol
• Exact Mass: 2149.93
• IUPAC Name: cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide
• SMILES: CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@@H](N)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@@H](NC(=O)C(F)(F)F)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](N(C)C)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](O)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1
• InChI: InChI=1S/C30H30F4N4O5.C30H35FN4O4.C28H31FN4O4.C28H30FN3O5/c1-2-19-12-18(21-5-3-4-6-24(21)35-19)16-43-25-8-7-17(11-23(25)31)13-29(14-22(29)26(39)37-42)28(41)38-10-9-20(15-38)36-27(40)30(32,33)34;1-4-21-14-20(23-7-5-6-8-26(23)32-21)18-39-27-10-9-19(13-25(27)31)15-30(16-24(30)28(36)33-38)29(37)35-12-11-22(17-35)34(2)3;1-2-20-12-18(21-5-3-4-6-24(21)31-20)16-37-25-8-7-17(11-23(25)29)13-28(14-22(28)26(34)32-36)27(35)33-10-9-19(30)15-33;1-2-19-12-18(21-5-3-4-6-24(21)30-19)16-37-25-8-7-17(11-23(25)29)13-28(14-22(28)26(34)31-36)27(35)32-10-9-20(33)15-32/h3-8,11-12,20,22,42H,2,9-10,13-16H2,1H3,(H,36,40)(H,37,39);5-10,13-14,22,24,38H,4,11-12,15-18H2,1-3H3,(H,33,36);3-8,11-12,19,22,36H,2,9-10,13-16,30H2,1H3,(H,32,34);3-8,11-12,20,22,33,36H,2,9-10,13-16H2,1H3,(H,31,34)/t20-,22-,29+;22-,24+,30-;19-,22-,28+;20-,22+,28-/m1010/s1
• InChIKey: JEHQYJPHQYWZIU-IDSVYNCCSA-N
• XLogP: 13.87
• TPSA: 445.63 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.36
LogP ≤ 5	13.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

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)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?

The IUPAC name of Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide (CID 158891631) is cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide.

What is the SMILES notation for Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?

The canonical SMILES for Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide is CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@@H](N)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@@H](NC(=O)C(F)(F)F)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](N(C)C)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](O)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.

What is the InChIKey of Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?

The InChIKey is JEHQYJPHQYWZIU-IDSVYNCCSA-N. The full InChI is InChI=1S/C30H30F4N4O5.C30H35FN4O4.C28H31FN4O4.C28H30FN3O5/c1-2-19-12-18(21-5-3-4-6-24(21)35-19)16-43-25-8-7-17(11-23(25)31)13-29(14-22(29)26(39)37-42)28(41)38-10-9-20(15-38)36-27(40)30(32,33)34;1-4-21-14-20(23-7-5-6-8-26(23)32-21)18-39-27-10-9-19(13-25(27)31)15-30(16-24(30)28(36)33-38)29(37)35-12-11-22(17-35)34(2)3;1-2-20-12-18(21-5-3-4-6-24(21)31-20)16-37-25-8-7-17(11-23(25)29)13-28(14-22(28)26(34)32-36)27(35)33-10-9-19(30)15-33;1-2-19-12-18(21-5-3-4-6-24(21)30-19)16-37-25-8-7-17(11-23(25)29)13-28(14-22(28)26(34)31-36)27(35)32-10-9-20(33)15-32/h3-8,11-12,20,22,42H,2,9-10,13-16H2,1H3,(H,36,40)(H,37,39);5-10,13-14,22,24,38H,4,11-12,15-18H2,1-3H3,(H,33,36);3-8,11-12,19,22,36H,2,9-10,13-16,30H2,1H3,(H,32,34);3-8,11-12,20,22,33,36H,2,9-10,13-16H2,1H3,(H,31,34)/t20-,22-,29+;22-,24+,30-;19-,22-,28+;20-,22+,28-/m1010/s1.

What are the key properties of Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide?

Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 2151.36 g/mol, XLogP of 13.87, 34 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for Cis-(1S,2R)-2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclopropane-1-carboxamide;cis-(1S,2R)-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxy-2-[(3R)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158891631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158891631 — identifiers, structure, computed properties (public domain)

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