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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate

C80H84Cl3FN8O14 — CID 157417532

About 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate

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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate (PubChem CID 157417532) has the molecular formula C80H84Cl3FN8O14 and a molecular weight of 1506.95 g/mol. Its IUPAC name is 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
• PubChem CID: 157417532
• Molecular Formula: C80H84Cl3FN8O14
• Molecular Weight: 1506.95 g/mol
• Exact Mass: 1504.52
• IUPAC Name: 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
• SMILES: CCOC(=O)[C@@]1(Cc2cc(Cl)c(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](N(C)C)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1
• InChI: InChI=1S/C30H35FN4O4.C25H24Cl2N2O5.C25H25ClN2O5/c1-4-21-14-20(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;1-3-33-24(31)25(12-18(25)23(30)29-32)11-15-9-19(26)22(20(27)10-15)34-13-16-8-14(2)28-21-7-5-4-6-17(16)21;1-3-32-24(30)25(13-19(25)23(29)28-31)12-16-8-9-22(20(26)11-16)33-14-17-10-15(2)27-21-7-5-4-6-18(17)21/h5-10,13-14,22,24,38H,4,11-12,15-18H2,1-3H3,(H,33,36);4-10,18,32H,3,11-13H2,1-2H3,(H,29,30);4-11,19,31H,3,12-14H2,1-2H3,(H,28,29)/t22-,24+,30-;18-,25+;19-,25+/m011/s1
• InChIKey: BPAJJPJACQVXAL-FXWROCDTSA-N
• XLogP: 13.17
• TPSA: 290.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1506.95
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

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-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-[[4-[(2-ethylquinolin-4-yl)methoxy]-3-fluorophenyl]methyl]-N-hydroxycyclopropane-1-carboxamide;cis-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate?

The IUPAC name of 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate (CID 157417532) is 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate.

What is the SMILES notation for 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate?

The canonical SMILES for 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2cc(Cl)c(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)c(Cl)c2)C[C@@H]1C(=O)NO.CCc1cc(COc2ccc(C[C@]3(C(=O)N4CC[C@H](N(C)C)C4)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1.

What is the InChIKey of 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate?

The InChIKey is BPAJJPJACQVXAL-FXWROCDTSA-N. The full InChI is InChI=1S/C30H35FN4O4.C25H24Cl2N2O5.C25H25ClN2O5/c1-4-21-14-20(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;1-3-33-24(31)25(12-18(25)23(30)29-32)11-15-9-19(26)22(20(27)10-15)34-13-16-8-14(2)28-21-7-5-4-6-17(16)21;1-3-32-24(30)25(13-19(25)23(29)28-31)12-16-8-9-22(20(26)11-16)33-14-17-10-15(2)27-21-7-5-4-6-18(17)21/h5-10,13-14,22,24,38H,4,11-12,15-18H2,1-3H3,(H,33,36);4-10,18,32H,3,11-13H2,1-2H3,(H,29,30);4-11,19,31H,3,12-14H2,1-2H3,(H,28,29)/t22-,24+,30-;18-,25+;19-,25+/m011/s1.

What are the key properties of 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate?

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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 1506.95 g/mol, XLogP of 13.17, 25 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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-ethyl (1R,2S)-1-[[3-chloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-1-[[3,5-dichloro-4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 157417532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).