cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate

C158H163F7N14O32 — CID 159820138

IUPACcis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](C)C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NO.CCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO.Cc1cc(COc2cccc([C@@]3(C(=O)OC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C31H37N3O6.C28H31N3O6.C25H22F4N2O5.C25H23F3N2O5.C25H26N2O5.C24H24N2O5/c1-5-39-30(37)31(17-25(31)28(35)33-27(14-19(2)3)29(36)34-38)16-21-10-12-23(13-11-21)40-18-22-15-20(4)32-26-9-7-6-8-24(22)26;1-4-36-27(34)28(15-23(28)26(33)30-18(3)25(32)31-35)14-19-9-11-21(12-10-19)37-16-20-13-17(2)29-24-8-6-5-7-22(20)24;1-2-35-23(33)24(12-19(24)22(32)31-34)11-14-3-6-17(7-4-14)36-13-15-9-21(25(27,28)29)30-20-8-5-16(26)10-18(15)20;1-2-34-23(32)24(13-19(24)22(31)30-33)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;1-15(2)32-24(29)25(13-21(25)23(28)27-30)18-7-6-8-19(12-18)31-14-17-11-16(3)26-22-10-5-4-9-20(17)22;1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h6-13,15,19,25,27,38H,5,14,16-18H2,1-4H3,(H,33,35)(H,34,36);5-13,18,23,35H,4,14-16H2,1-3H3,(H,30,33)(H,31,32);3-10,19,34H,2,11-13H2,1H3,(H,31,32);3-11,19,33H,2,12-14H2,1H3,(H,30,31);4-12,15,21,30H,13-14H2,1-3H3,(H,27,28);4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t25-,27+,31+;18-,23+,28-;2*19-,24+;21-,25-;20-,24-/m101100/s1
InChIKeyNMCYSZMSQAYFRW-STUUPBHWSA-N
MW2903.09 g/mol
LogP23.84
Rot. Bonds52

About cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate (PubChem CID 159820138) has the molecular formula C158H163F7N14O32 and a molecular weight of 2903.09 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
PubChem CID159820138
Molecular FormulaC158H163F7N14O32
Molecular Weight2903.09 g/mol
Exact Mass2901.14
IUPAC Namecis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](C)C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NO.CCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO.Cc1cc(COc2cccc([C@@]3(C(=O)OC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C31H37N3O6.C28H31N3O6.C25H22F4N2O5.C25H23F3N2O5.C25H26N2O5.C24H24N2O5/c1-5-39-30(37)31(17-25(31)28(35)33-27(14-19(2)3)29(36)34-38)16-21-10-12-23(13-11-21)40-18-22-15-20(4)32-26-9-7-6-8-24(22)26;1-4-36-27(34)28(15-23(28)26(33)30-18(3)25(32)31-35)14-19-9-11-21(12-10-19)37-16-20-13-17(2)29-24-8-6-5-7-22(20)24;1-2-35-23(33)24(12-19(24)22(32)31-34)11-14-3-6-17(7-4-14)36-13-15-9-21(25(27,28)29)30-20-8-5-16(26)10-18(15)20;1-2-34-23(32)24(13-19(24)22(31)30-33)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;1-15(2)32-24(29)25(13-21(25)23(28)27-30)18-7-6-8-19(12-18)31-14-17-11-16(3)26-22-10-5-4-9-20(17)22;1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h6-13,15,19,25,27,38H,5,14,16-18H2,1-4H3,(H,33,35)(H,34,36);5-13,18,23,35H,4,14-16H2,1-3H3,(H,30,33)(H,31,32);3-10,19,34H,2,11-13H2,1H3,(H,31,32);3-11,19,33H,2,12-14H2,1H3,(H,30,31);4-12,15,21,30H,13-14H2,1-3H3,(H,27,28);4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t25-,27+,31+;18-,23+,28-;2*19-,24+;21-,25-;20-,24-/m101100/s1
InChIKeyNMCYSZMSQAYFRW-STUUPBHWSA-N
XLogP23.84
TPSA644.70 Ų
H-Bond Donors14
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002903.09
LogP ≤ 523.84
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-ethoxycarbonyl-2-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-propyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
CID 157072076
cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978458
ethyl 2-[[1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 20748653
cis-ethyl (1R,2S)-2-[[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978428
ethyl (1R)-2-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978370
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 44581112
methyl (2S)-2-[[(1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropanecarbonyl]amino]-3-methylbutanoate
CID 59978446
cis-ethyl (1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-(1S,2R)-N-hydroxy-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 162192595
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
cis-(1S,2R)-2-methoxycarbonyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 24800832
cis-(1R,2S)-1-[[4-[(2-ethylquinolin-4-yl)methoxy]phenyl]methyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 44581138

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate (CID 159820138) is cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccc(F)cc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C(F)(F)F)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](C)C(=O)NO.CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NO.CCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO.Cc1cc(COc2cccc([C@@]3(C(=O)OC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The InChIKey is NMCYSZMSQAYFRW-STUUPBHWSA-N. The full InChI is InChI=1S/C31H37N3O6.C28H31N3O6.C25H22F4N2O5.C25H23F3N2O5.C25H26N2O5.C24H24N2O5/c1-5-39-30(37)31(17-25(31)28(35)33-27(14-19(2)3)29(36)34-38)16-21-10-12-23(13-11-21)40-18-22-15-20(4)32-26-9-7-6-8-24(22)26;1-4-36-27(34)28(15-23(28)26(33)30-18(3)25(32)31-35)14-19-9-11-21(12-10-19)37-16-20-13-17(2)29-24-8-6-5-7-22(20)24;1-2-35-23(33)24(12-19(24)22(32)31-34)11-14-3-6-17(7-4-14)36-13-15-9-21(25(27,28)29)30-20-8-5-16(26)10-18(15)20;1-2-34-23(32)24(13-19(24)22(31)30-33)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;1-15(2)32-24(29)25(13-21(25)23(28)27-30)18-7-6-8-19(12-18)31-14-17-11-16(3)26-22-10-5-4-9-20(17)22;1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h6-13,15,19,25,27,38H,5,14,16-18H2,1-4H3,(H,33,35)(H,34,36);5-13,18,23,35H,4,14-16H2,1-3H3,(H,30,33)(H,31,32);3-10,19,34H,2,11-13H2,1H3,(H,31,32);3-11,19,33H,2,12-14H2,1H3,(H,30,31);4-12,15,21,30H,13-14H2,1-3H3,(H,27,28);4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t25-,27+,31+;18-,23+,28-;2*19-,24+;21-,25-;20-,24-/m101100/s1.
What are the key properties of cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate has a molecular weight of 2903.09 g/mol, XLogP of 23.84, 52 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-1-[[4-[[6-fluoro-2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate;trans-propan-2-yl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 159820138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).