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

C143H130Cl3N5O22 — CID 91439871

IUPAC3-[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
SMILESCC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C31H24ClNO5.C30H30ClNO4.C29H28ClNO4.C29H29NO5.C24H19NO4/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;1-20(2)15-30(21(3)33)36-29-14-12-24(31)16-23(29)18-34-26-8-6-9-27(17-26)35-19-25-13-11-22-7-4-5-10-28(22)32-25;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20/h1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);1-14H,15-16H2,(H,26,27)
InChIKeyHLRRCOWSHFCLJI-UHFFFAOYSA-N
MW2376.98 g/mol
LogP33.29
Rot. Bonds50

About 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

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 (PubChem CID 91439871) has the molecular formula C143H130Cl3N5O22 and a molecular weight of 2376.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID91439871
Molecular FormulaC143H130Cl3N5O22
Molecular Weight2376.98 g/mol
Exact Mass2373.83
IUPAC Name3-[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
SMILESCC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C31H24ClNO5.C30H30ClNO4.C29H28ClNO4.C29H29NO5.C24H19NO4/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;1-20(2)15-30(21(3)33)36-29-14-12-24(31)16-23(29)18-34-26-8-6-9-27(17-26)35-19-25-13-11-22-7-4-5-10-28(22)32-25;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20/h1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);1-14H,15-16H2,(H,26,27)
InChIKeyHLRRCOWSHFCLJI-UHFFFAOYSA-N
XLogP33.29
TPSA339.71 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds50
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.98
LogP ≤ 533.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

6-Chloro-4-oxo-5-[4-(quinolin-2-ylmethoxy)-benzyloxy]-chroman-2-carboxylic acid
CID 44292186
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 9828261
6-Chloro-4-oxo-5-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]chromene-2-carboxylic acid
CID 14842374
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
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
3-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-5-methylhexan-2-one;3-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one
CID 91568633
Acetic acid;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;propane
CID 141949159

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O.CCCC(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(C)=O.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of 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?
The InChIKey is HLRRCOWSHFCLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClNO5.C30H30ClNO4.C29H28ClNO4.C29H29NO5.C24H19NO4/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;1-20(2)15-30(21(3)33)36-29-14-12-24(31)16-23(29)18-34-26-8-6-9-27(17-26)35-19-25-13-11-22-7-4-5-10-28(22)32-25;1-3-8-28(20(2)32)35-29-22(10-6-13-26(29)30)18-33-24-11-7-12-25(17-24)34-19-23-16-15-21-9-4-5-14-27(21)31-23;1-3-7-27(29(31)32)35-28-20(2)8-6-10-22(28)18-33-24-14-16-25(17-15-24)34-19-23-13-12-21-9-4-5-11-26(21)30-23;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20/h1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-7,9-17,28H,3,8,18-19H2,1-2H3;4-6,8-17,27H,3,7,18-19H2,1-2H3,(H,31,32);1-14H,15-16H2,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 2376.98 g/mol, XLogP of 33.29, 50 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91439871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).