cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

C79H77F6N11O12 — CID 158469425

About cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 158469425) has the molecular formula C79H77F6N11O12 and a molecular weight of 1486.54 g/mol. Its IUPAC name is cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
• PubChem CID: 158469425
• Molecular Formula: C79H77F6N11O12
• Molecular Weight: 1486.54 g/mol
• Exact Mass: 1485.57
• IUPAC Name: cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
• SMILES: CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.CN(C)CCNC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
• InChI: InChI=1S/C27H29F3N4O4.C27H24N4O4.C25H24F3N3O4/c1-34(2)12-11-31-25(36)26(15-21(26)24(35)33-37)14-17-7-9-19(10-8-17)38-16-18-13-23(27(28,29)30)32-22-6-4-3-5-20(18)22;28-26(33)27(14-22(27)25(32)31-34)13-17-7-9-20(10-8-17)35-16-19-12-24(18-4-3-11-29-15-18)30-23-6-2-1-5-21(19)23;1-31(2)23(33)24(13-19(24)22(32)30-34)12-15-7-9-17(10-8-15)35-14-16-11-21(25(26,27)28)29-20-6-4-3-5-18(16)20/h3-10,13,21,37H,11-12,14-16H2,1-2H3,(H,31,36)(H,33,35);1-12,15,22,34H,13-14,16H2,(H2,28,33)(H,31,32);3-11,19,34H,12-14H2,1-2H3,(H,30,32)/t21-,26+;22-,27+;19-,24+/m111/s1
• InChIKey: HGDYEJYXMWCWNW-XJQRYTOASA-N
• XLogP: 10.95
• TPSA: 322.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1486.54
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

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-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?

The IUPAC name of cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (CID 158469425) is cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.

What is the SMILES notation for cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?

The canonical SMILES for cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.CN(C)CCNC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.

What is the InChIKey of cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?

The InChIKey is HGDYEJYXMWCWNW-XJQRYTOASA-N. The full InChI is InChI=1S/C27H29F3N4O4.C27H24N4O4.C25H24F3N3O4/c1-34(2)12-11-31-25(36)26(15-21(26)24(35)33-37)14-17-7-9-19(10-8-17)38-16-18-13-23(27(28,29)30)32-22-6-4-3-5-20(18)22;28-26(33)27(14-22(27)25(32)31-34)13-17-7-9-20(10-8-17)35-16-19-12-24(18-4-3-11-29-15-18)30-23-6-2-1-5-21(19)23;1-31(2)23(33)24(13-19(24)22(32)30-34)12-15-7-9-17(10-8-15)35-14-16-11-21(25(26,27)28)29-20-6-4-3-5-18(16)20/h3-10,13,21,37H,11-12,14-16H2,1-2H3,(H,31,36)(H,33,35);1-12,15,22,34H,13-14,16H2,(H2,28,33)(H,31,32);3-11,19,34H,12-14H2,1-2H3,(H,30,32)/t21-,26+;22-,27+;19-,24+/m111/s1.

What are the key properties of cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?

cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 1486.54 g/mol, XLogP of 10.95, 25 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-1-N-[2-(dimethylamino)ethyl]-2-N-hydroxy-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide;cis-(1R,2S)-2-N-hydroxy-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 158469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).