2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid

C241H241Cl5F2N8O39 — CID 157340788

IUPAC2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
SMILESC.C.C.C.C.C.C.C.CC(C)CC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCCOC(=O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.CCCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OC(C)C(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)CCC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(F)c1
InChIInChI=1S/2C31H24ClNO5.3C29H28ClNO5.C29H29NO5.C28H26FNO4.C27H22FNO5.8CH4/c32-27-14-6-11-23(29(27)38-30(31(34)35)22-9-2-1-3-10-22)19-36-25-12-7-13-26(18-25)37-20-24-17-16-21-8-4-5-15-28(21)33-24;32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;1-19(2)14-28(29(32)33)36-27-13-11-22(30)15-21(27)17-34-24-7-5-8-25(16-24)35-18-23-12-10-20-6-3-4-9-26(20)31-23;1-19(2)16-27(29(32)33)36-28-21(7-5-8-25(28)30)17-34-23-12-14-24(15-13-23)35-18-22-11-10-20-6-3-4-9-26(20)31-22;1-19(2)15-28(29(32)33)36-27-14-8-22(30)16-21(27)17-34-24-10-12-25(13-11-24)35-18-23-9-7-20-5-3-4-6-26(20)31-23;1-3-8-22-10-6-11-23(28(22)35-20(2)29(31)32)18-33-25-12-7-13-26(17-25)34-19-24-16-15-21-9-4-5-14-27(21)30-24;1-2-15-32-28(31)17-21-9-14-27(25(29)16-21)34-18-20-7-12-24(13-8-20)33-19-23-11-10-22-5-3-4-6-26(22)30-23;28-23-15-20(25(30)11-13-27(31)32)9-12-26(23)34-16-18-4-3-6-22(14-18)33-17-21-10-8-19-5-1-2-7-24(19)29-21;;;;;;;;/h2*1-18,30H,19-20H2,(H,34,35);3-13,15-16,19,28H,14,17-18H2,1-2H3,(H,32,33);3-15,19,27H,16-18H2,1-2H3,(H,32,33);3-14,16,19,28H,15,17-18H2,1-2H3,(H,32,33);4-7,9-17,20H,3,8,18-19H2,1-2H3,(H,31,32);3-14,16H,2,15,17-19H2,1H3;1-10,12,14-15H,11,13,16-17H2,(H,31,32);8*1H4
InChIKeyBGJGHICHTQMLMT-UHFFFAOYSA-N
MW4088.86 g/mol
LogP58.17
Rot. Bonds84

About 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid

2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid (PubChem CID 157340788) has the molecular formula C241H241Cl5F2N8O39 and a molecular weight of 4088.86 g/mol. Its IUPAC name is 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
PubChem CID157340788
Molecular FormulaC241H241Cl5F2N8O39
Molecular Weight4088.86 g/mol
Exact Mass4083.55
IUPAC Name2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
SMILESC.C.C.C.C.C.C.C.CC(C)CC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCCOC(=O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.CCCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OC(C)C(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)CCC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(F)c1
InChIInChI=1S/2C31H24ClNO5.3C29H28ClNO5.C29H29NO5.C28H26FNO4.C27H22FNO5.8CH4/c32-27-14-6-11-23(29(27)38-30(31(34)35)22-9-2-1-3-10-22)19-36-25-12-7-13-26(18-25)37-20-24-17-16-21-8-4-5-15-28(21)33-24;32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;1-19(2)14-28(29(32)33)36-27-13-11-22(30)15-21(27)17-34-24-7-5-8-25(16-24)35-18-23-12-10-20-6-3-4-9-26(20)31-23;1-19(2)16-27(29(32)33)36-28-21(7-5-8-25(28)30)17-34-23-12-14-24(15-13-23)35-18-22-11-10-20-6-3-4-9-26(20)31-22;1-19(2)15-28(29(32)33)36-27-14-8-22(30)16-21(27)17-34-24-10-12-25(13-11-24)35-18-23-9-7-20-5-3-4-6-26(20)31-23;1-3-8-22-10-6-11-23(28(22)35-20(2)29(31)32)18-33-25-12-7-13-26(17-25)34-19-24-16-15-21-9-4-5-14-27(21)30-24;1-2-15-32-28(31)17-21-9-14-27(25(29)16-21)34-18-20-7-12-24(13-8-20)33-19-23-11-10-22-5-3-4-6-26(22)30-23;28-23-15-20(25(30)11-13-27(31)32)9-12-26(23)34-16-18-4-3-6-22(14-18)33-17-21-10-8-19-5-1-2-7-24(19)29-21;;;;;;;;/h2*1-18,30H,19-20H2,(H,34,35);3-13,15-16,19,28H,14,17-18H2,1-2H3,(H,32,33);3-15,19,27H,16-18H2,1-2H3,(H,32,33);3-14,16,19,28H,15,17-18H2,1-2H3,(H,32,33);4-7,9-17,20H,3,8,18-19H2,1-2H3,(H,31,32);3-14,16H,2,15,17-19H2,1H3;1-10,12,14-15H,11,13,16-17H2,(H,31,32);8*1H4
InChIKeyBGJGHICHTQMLMT-UHFFFAOYSA-N
XLogP58.17
TPSA610.65 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds84
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004088.86
LogP ≤ 558.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid with MolForge

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Related Compounds

3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one
CID 90710545
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;5-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 90928088
3-[4-Chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;1-[2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;5-oxo-4-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexanoic acid;1-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]propan-2-one
CID 90933402
1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
CID 91060400
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 91100650
3-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;3-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;5-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 91167107
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one;3-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 91439871
1-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]pentane-1,4-dione;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]pent-4-enoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one
CID 91525004
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid
CID 157141867
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;5-oxo-4-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexanoic acid
CID 157536505
6-Chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid;2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetic acid;4-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetamide
CID 158062945
2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;dimethyl 2-[2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanedioate
CID 158065907

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid (CID 157340788) is 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid is C.C.C.C.C.C.C.C.CC(C)CC(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CC(C)CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCCOC(=O)Cc1ccc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)c(F)c1.CCCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OC(C)C(=O)O.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)CCC(=O)c1ccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c(F)c1.
What is the InChIKey of 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The InChIKey is BGJGHICHTQMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H24ClNO5.3C29H28ClNO5.C29H29NO5.C28H26FNO4.C27H22FNO5.8CH4/c32-27-14-6-11-23(29(27)38-30(31(34)35)22-9-2-1-3-10-22)19-36-25-12-7-13-26(18-25)37-20-24-17-16-21-8-4-5-15-28(21)33-24;32-27-11-6-10-23(29(27)38-30(31(34)35)22-8-2-1-3-9-22)19-36-25-15-17-26(18-16-25)37-20-24-14-13-21-7-4-5-12-28(21)33-24;1-19(2)14-28(29(32)33)36-27-13-11-22(30)15-21(27)17-34-24-7-5-8-25(16-24)35-18-23-12-10-20-6-3-4-9-26(20)31-23;1-19(2)16-27(29(32)33)36-28-21(7-5-8-25(28)30)17-34-23-12-14-24(15-13-23)35-18-22-11-10-20-6-3-4-9-26(20)31-22;1-19(2)15-28(29(32)33)36-27-14-8-22(30)16-21(27)17-34-24-10-12-25(13-11-24)35-18-23-9-7-20-5-3-4-6-26(20)31-23;1-3-8-22-10-6-11-23(28(22)35-20(2)29(31)32)18-33-25-12-7-13-26(17-25)34-19-24-16-15-21-9-4-5-14-27(21)30-24;1-2-15-32-28(31)17-21-9-14-27(25(29)16-21)34-18-20-7-12-24(13-8-20)33-19-23-11-10-22-5-3-4-6-26(22)30-23;28-23-15-20(25(30)11-13-27(31)32)9-12-26(23)34-16-18-4-3-6-22(14-18)33-17-21-10-8-19-5-1-2-7-24(19)29-21;;;;;;;;/h2*1-18,30H,19-20H2,(H,34,35);3-13,15-16,19,28H,14,17-18H2,1-2H3,(H,32,33);3-15,19,27H,16-18H2,1-2H3,(H,32,33);3-14,16,19,28H,15,17-18H2,1-2H3,(H,32,33);4-7,9-17,20H,3,8,18-19H2,1-2H3,(H,31,32);3-14,16H,2,15,17-19H2,1H3;1-10,12,14-15H,11,13,16-17H2,(H,31,32);8*1H4.
What are the key properties of 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid has a molecular weight of 4088.86 g/mol, XLogP of 58.17, 84 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid;2-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;4-[3-fluoro-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]-4-oxobutanoic acid;methane;propyl 2-[3-fluoro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenyl]acetate;2-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 157340788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).