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

C152H139Cl4N5O22 — CID 91167107

IUPAC3-[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
SMILESCC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/2C31H24ClNO5.2C30H30ClNO4.C30H31NO4/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;1-20(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;1-20(2)17-29(21(3)33)36-30-23(8-6-9-27(30)31)18-34-25-13-15-26(16-14-25)35-19-24-12-11-22-7-4-5-10-28(22)32-24;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25/h2*1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-16,20,29H,17-19H2,1-3H3;4-16,18,21,30H,17,19-20H2,1-3H3
InChIKeySUSAOXPQXYBRCS-UHFFFAOYSA-N
MW2529.61 g/mol
LogP36.13
Rot. Bonds53

About 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

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 (PubChem CID 91167107) has the molecular formula C152H139Cl4N5O22 and a molecular weight of 2529.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID91167107
Molecular FormulaC152H139Cl4N5O22
Molecular Weight2529.61 g/mol
Exact Mass2525.87
IUPAC Name3-[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
SMILESCC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/2C31H24ClNO5.2C30H30ClNO4.C30H31NO4/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;1-20(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;1-20(2)17-29(21(3)33)36-30-23(8-6-9-27(30)31)18-34-25-13-15-26(16-14-25)35-19-24-12-11-22-7-4-5-10-28(22)32-24;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25/h2*1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-16,20,29H,17-19H2,1-3H3;4-16,18,21,30H,17,19-20H2,1-3H3
InChIKeySUSAOXPQXYBRCS-UHFFFAOYSA-N
XLogP36.13
TPSA328.71 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds53
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002529.61
LogP ≤ 536.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]pentanoic acid
CID 9805659
2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid
CID 9827525
2-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 9828260
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 9828261
2-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
CID 9848498
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 9890605
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid
CID 9892405
2-[2-Chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid
CID 15015298
2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
CID 22241364
2-[4-Chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 54519035
2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 69831627

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C(CC(C)C)Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(CC(C)C)Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)C(CC(C)C)Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)C(Oc1c(Cl)cccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)C(Oc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is SUSAOXPQXYBRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H24ClNO5.2C30H30ClNO4.C30H31NO4/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;1-20(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;1-20(2)17-29(21(3)33)36-30-23(8-6-9-27(30)31)18-34-25-13-15-26(16-14-25)35-19-24-12-11-22-7-4-5-10-28(22)32-24;1-21(2)17-30(22(3)32)35-29-14-7-5-10-24(29)19-33-26-11-8-12-27(18-26)34-20-25-16-15-23-9-4-6-13-28(23)31-25/h2*1-18,30H,19-20H2,(H,34,35);4-14,16-17,20,30H,15,18-19H2,1-3H3;4-16,20,29H,17-19H2,1-3H3;4-16,18,21,30H,17,19-20H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2529.61 g/mol, XLogP of 36.13, 53 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91167107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).