cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one

C186H169BrF16N18O34 — CID 159361962

IUPACcyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one
SMILESCC(C)(C)OC(=O)NC(CCCBr)C(=O)OC1CCCC1.COc1cc2c(=O)cc[nH]c2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCc1ccccc1.Cc1ccc(N=C=O)cc1.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C39H42F4N4O8.C31H23F4N3O4.C24H17F4N3O4.C23H17FN2O5.C23H19FN2O3.C17H15NO3.C15H26BrNO4.C8H7NO.C6H3F2NO2/c1-38(2,3)55-37(50)47-29(35(48)53-26-8-5-6-9-26)10-7-19-52-34-22-30-27(21-33(34)51-4)31(17-18-44-30)54-32-16-15-25(20-28(32)40)46-36(49)45-24-13-11-23(12-14-24)39(41,42)43;1-40-28-16-23-25(17-29(28)41-18-19-5-3-2-4-6-19)36-14-13-26(23)42-27-12-11-22(15-24(27)32)38-30(39)37-21-9-7-20(8-10-21)31(33,34)35;1-34-22-11-16-18(12-19(22)32)29-9-8-20(16)35-21-7-6-15(10-17(21)25)31-23(33)30-14-4-2-13(3-5-14)24(26,27)28;1-29-22-12-17-19(13-23(22)30-14-15-5-3-2-4-6-15)25-10-9-20(17)31-21-8-7-16(26(27)28)11-18(21)24;1-27-22-12-17-19(13-23(22)28-14-15-5-3-2-4-6-15)26-10-9-20(17)29-21-8-7-16(25)11-18(21)24;1-20-16-9-13-14(18-8-7-15(13)19)10-17(16)21-11-12-5-3-2-4-6-12;1-15(2,3)21-14(19)17-12(9-6-10-16)13(18)20-11-7-4-5-8-11;1-7-2-4-8(5-3-7)9-6-10;7-5-2-1-4(9(10)11)3-6(5)8/h11-18,20-22,26,29H,5-10,19H2,1-4H3,(H,47,50)(H2,45,46,49);2-17H,18H2,1H3,(H2,37,38,39);2-12,32H,1H3,(H2,30,31,33);2-13H,14H2,1H3;2-13H,14,25H2,1H3;2-10H,11H2,1H3,(H,18,19);11-12H,4-10H2,1-3H3,(H,17,19);2-5H,1H3;1-3H
InChIKeyLIQPCTRBCSTEGH-UHFFFAOYSA-N
MW3584.36 g/mol
LogP45.83
Rot. Bonds51

About cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one

cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one (PubChem CID 159361962) has the molecular formula C186H169BrF16N18O34 and a molecular weight of 3584.36 g/mol. Its IUPAC name is cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Namecyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one
PubChem CID159361962
Molecular FormulaC186H169BrF16N18O34
Molecular Weight3584.36 g/mol
Exact Mass3581.10
IUPAC Namecyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one
SMILESCC(C)(C)OC(=O)NC(CCCBr)C(=O)OC1CCCC1.COc1cc2c(=O)cc[nH]c2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCc1ccccc1.Cc1ccc(N=C=O)cc1.O=[N+]([O-])c1ccc(F)c(F)c1
InChIInChI=1S/C39H42F4N4O8.C31H23F4N3O4.C24H17F4N3O4.C23H17FN2O5.C23H19FN2O3.C17H15NO3.C15H26BrNO4.C8H7NO.C6H3F2NO2/c1-38(2,3)55-37(50)47-29(35(48)53-26-8-5-6-9-26)10-7-19-52-34-22-30-27(21-33(34)51-4)31(17-18-44-30)54-32-16-15-25(20-28(32)40)46-36(49)45-24-13-11-23(12-14-24)39(41,42)43;1-40-28-16-23-25(17-29(28)41-18-19-5-3-2-4-6-19)36-14-13-26(23)42-27-12-11-22(15-24(27)32)38-30(39)37-21-9-7-20(8-10-21)31(33,34)35;1-34-22-11-16-18(12-19(22)32)29-9-8-20(16)35-21-7-6-15(10-17(21)25)31-23(33)30-14-4-2-13(3-5-14)24(26,27)28;1-29-22-12-17-19(13-23(22)30-14-15-5-3-2-4-6-15)25-10-9-20(17)31-21-8-7-16(26(27)28)11-18(21)24;1-27-22-12-17-19(13-23(22)28-14-15-5-3-2-4-6-15)26-10-9-20(17)29-21-8-7-16(25)11-18(21)24;1-20-16-9-13-14(18-8-7-15(13)19)10-17(16)21-11-12-5-3-2-4-6-12;1-15(2,3)21-14(19)17-12(9-6-10-16)13(18)20-11-7-4-5-8-11;1-7-2-4-8(5-3-7)9-6-10;7-5-2-1-4(9(10)11)3-6(5)8/h11-18,20-22,26,29H,5-10,19H2,1-4H3,(H,47,50)(H2,45,46,49);2-17H,18H2,1H3,(H2,37,38,39);2-12,32H,1H3,(H2,30,31,33);2-13H,14H2,1H3;2-13H,14,25H2,1H3;2-10H,11H2,1H3,(H,18,19);11-12H,4-10H2,1-3H3,(H,17,19);2-5H,1H3;1-3H
InChIKeyLIQPCTRBCSTEGH-UHFFFAOYSA-N
XLogP45.83
TPSA659.60 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003584.36
LogP ≤ 545.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one with MolForge

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Related Compounds

cyclopentyl (2R)-2-amino-5-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfanylquinolin-7-yl]oxypentanoate
CID 15602833
N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;methane;(3-methylcyclopentyl) (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;(3-methylcyclopentyl) (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(3-methylcyclopentyl) (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 158670186
1-[2-amino-4,5-bis(2-methoxyethoxy)phenyl]ethanone;1-[4,5-bis(2-methoxyethoxy)-2-nitrophenyl]ethanone;1-[3,4-bis(2-methoxyethoxy)phenyl]ethanone;6,7-bis(2-methoxyethoxy)-1H-quinolin-4-one;4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluoroaniline;N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]oxolan-2-amine;1-bromo-2-methoxyethane;1,2-difluoro-4-nitrobenzene;1-(3,4-dihydroxyphenyl)ethanone;N-ethyl-N-propan-2-ylpropan-2-amine;4-(2-fluoro-4-nitrophenoxy)-6,7-bis(2-methoxyethoxy)quinoline;3-methyl-2-oxoimidazolidine-1-carbonyl chloride
CID 161265934
tert-butyl N-[3-[4-(4-amino-2-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 66611559
cyclopentyl 4-[(2S)-2-[[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 67265089
tert-butyl N-[3-[4-[2-fluoro-4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl]oxypropyl]carbamate
CID 89471054
1-N'-[4-[7-(3-bromopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 164779111
2-cyclohexylsulfanyl-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]acetamide
CID 22935551
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894
2-amino-4-[6-methoxy-4-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-7-yl]oxybutanoic acid
CID 67264759
N-[[3-fluoro-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-phenylacetamide
CID 22935495

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one?
The IUPAC name of cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one (CID 159361962) is cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one.
What is the SMILES notation for cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one?
The canonical SMILES for cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one is CC(C)(C)OC(=O)NC(CCCBr)C(=O)OC1CCCC1.COc1cc2c(=O)cc[nH]c2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCC(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2cc1OCc1ccccc1.Cc1ccc(N=C=O)cc1.O=[N+]([O-])c1ccc(F)c(F)c1.
What is the InChIKey of cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one?
The InChIKey is LIQPCTRBCSTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F4N4O8.C31H23F4N3O4.C24H17F4N3O4.C23H17FN2O5.C23H19FN2O3.C17H15NO3.C15H26BrNO4.C8H7NO.C6H3F2NO2/c1-38(2,3)55-37(50)47-29(35(48)53-26-8-5-6-9-26)10-7-19-52-34-22-30-27(21-33(34)51-4)31(17-18-44-30)54-32-16-15-25(20-28(32)40)46-36(49)45-24-13-11-23(12-14-24)39(41,42)43;1-40-28-16-23-25(17-29(28)41-18-19-5-3-2-4-6-19)36-14-13-26(23)42-27-12-11-22(15-24(27)32)38-30(39)37-21-9-7-20(8-10-21)31(33,34)35;1-34-22-11-16-18(12-19(22)32)29-9-8-20(16)35-21-7-6-15(10-17(21)25)31-23(33)30-14-4-2-13(3-5-14)24(26,27)28;1-29-22-12-17-19(13-23(22)30-14-15-5-3-2-4-6-15)25-10-9-20(17)31-21-8-7-16(26(27)28)11-18(21)24;1-27-22-12-17-19(13-23(22)28-14-15-5-3-2-4-6-15)26-10-9-20(17)29-21-8-7-16(25)11-18(21)24;1-20-16-9-13-14(18-8-7-15(13)19)10-17(16)21-11-12-5-3-2-4-6-12;1-15(2,3)21-14(19)17-12(9-6-10-16)13(18)20-11-7-4-5-8-11;1-7-2-4-8(5-3-7)9-6-10;7-5-2-1-4(9(10)11)3-6(5)8/h11-18,20-22,26,29H,5-10,19H2,1-4H3,(H,47,50)(H2,45,46,49);2-17H,18H2,1H3,(H2,37,38,39);2-12,32H,1H3,(H2,30,31,33);2-13H,14H2,1H3;2-13H,14,25H2,1H3;2-10H,11H2,1H3,(H,18,19);11-12H,4-10H2,1-3H3,(H,17,19);2-5H,1H3;1-3H.
What are the key properties of cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one?
cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one has a molecular weight of 3584.36 g/mol, XLogP of 45.83, 51 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;cyclopentyl 5-[4-[2-fluoro-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;1,2-difluoro-4-nitrobenzene;1-[3-fluoro-4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;1-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea;4-(2-fluoro-4-nitrophenoxy)-6-methoxy-7-phenylmethoxyquinoline;1-isocyanato-4-methylbenzene;6-methoxy-7-phenylmethoxy-1H-quinolin-4-one is sourced from PubChem (CID 159361962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).