1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid

C136H124Cl2FN5O22 — CID 159619768

IUPAC1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid
SMILESCC(=O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)COc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O
InChIInChI=1S/C29H28FNO5.C29H29NO4.2C26H22ClNO4.C26H23NO5/c1-3-6-26(29(32)33)36-28-19(2)7-4-9-21(28)17-34-23-13-15-24(16-14-23)35-18-22-12-11-20-8-5-10-25(30)27(20)31-22;1-2-7-24(29(31)32)17-21-8-5-9-22(16-21)19-33-26-11-6-12-27(18-26)34-20-25-15-14-23-10-3-4-13-28(23)30-25;1-18(29)15-32-26-20(7-4-10-24(26)27)16-30-22-8-5-9-23(14-22)31-17-21-13-12-19-6-2-3-11-25(19)28-21;1-18(29)15-32-26-12-10-21(27)13-20(26)16-30-23-6-4-7-24(14-23)31-17-22-11-9-19-5-2-3-8-25(19)28-22;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h4-5,7-16,26H,3,6,17-18H2,1-2H3,(H,32,33);3-6,8-16,18,24H,2,7,17,19-20H2,1H3,(H,31,32);2*2-14H,15-17H2,1H3;2-14H,15-17H2,1H3,(H,28,29)
InChIKeyMNSYUJMYRRDYPL-UHFFFAOYSA-N
MW2270.40 g/mol
LogP30.10
Rot. Bonds49

About 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid

1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid (PubChem CID 159619768) has the molecular formula C136H124Cl2FN5O22 and a molecular weight of 2270.40 g/mol. Its IUPAC name is 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid.

Molecular Properties

Compound Name1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid
PubChem CID159619768
Molecular FormulaC136H124Cl2FN5O22
Molecular Weight2270.40 g/mol
Exact Mass2267.81
IUPAC Name1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid
SMILESCC(=O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)COc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O
InChIInChI=1S/C29H28FNO5.C29H29NO4.2C26H22ClNO4.C26H23NO5/c1-3-6-26(29(32)33)36-28-19(2)7-4-9-21(28)17-34-23-13-15-24(16-14-23)35-18-22-12-11-20-8-5-10-25(30)27(20)31-22;1-2-7-24(29(31)32)17-21-8-5-9-22(16-21)19-33-26-11-6-12-27(18-26)34-20-25-15-14-23-10-3-4-13-28(23)30-25;1-18(29)15-32-26-20(7-4-10-24(26)27)16-30-22-8-5-9-23(14-22)31-17-21-13-12-19-6-2-3-11-25(19)28-21;1-18(29)15-32-26-12-10-21(27)13-20(26)16-30-23-6-4-7-24(14-23)31-17-22-11-9-19-5-2-3-8-25(19)28-22;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h4-5,7-16,26H,3,6,17-18H2,1-2H3,(H,32,33);3-6,8-16,18,24H,2,7,17,19-20H2,1H3,(H,31,32);2*2-14H,15-17H2,1H3;2-14H,15-17H2,1H3,(H,28,29)
InChIKeyMNSYUJMYRRDYPL-UHFFFAOYSA-N
XLogP30.10
TPSA339.71 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds49
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.40
LogP ≤ 530.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid 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

2-[2-Chloro-6-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]phenoxy]pentanoic acid
CID 21014258
2-[2-Chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid
CID 9805659
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-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-4-methylpentanoic acid
CID 9892405
2-[4-Chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid
CID 69831627
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
2-[2-Methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]pentanoic acid;3-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 91130242

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid?
The IUPAC name of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid (CID 159619768) is 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid.
What is the SMILES notation for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid?
The canonical SMILES for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid is CC(=O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)COc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Cc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)C(=O)O.CCCC(Oc1c(C)cccc1COc1ccc(OCc2ccc3cccc(F)c3n2)cc1)C(=O)O.Cc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1OCC(=O)O.
What is the InChIKey of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid?
The InChIKey is MNSYUJMYRRDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO5.C29H29NO4.2C26H22ClNO4.C26H23NO5/c1-3-6-26(29(32)33)36-28-19(2)7-4-9-21(28)17-34-23-13-15-24(16-14-23)35-18-22-12-11-20-8-5-10-25(30)27(20)31-22;1-2-7-24(29(31)32)17-21-8-5-9-22(16-21)19-33-26-11-6-12-27(18-26)34-20-25-15-14-23-10-3-4-13-28(23)30-25;1-18(29)15-32-26-20(7-4-10-24(26)27)16-30-22-8-5-9-23(14-22)31-17-21-13-12-19-6-2-3-11-25(19)28-21;1-18(29)15-32-26-12-10-21(27)13-20(26)16-30-23-6-4-7-24(14-23)31-17-22-11-9-19-5-2-3-8-25(19)28-22;1-18-5-4-7-20(26(18)32-17-25(28)29)15-30-22-11-13-23(14-12-22)31-16-21-10-9-19-6-2-3-8-24(19)27-21/h4-5,7-16,26H,3,6,17-18H2,1-2H3,(H,32,33);3-6,8-16,18,24H,2,7,17,19-20H2,1H3,(H,31,32);2*2-14H,15-17H2,1H3;2-14H,15-17H2,1H3,(H,28,29).
What are the key properties of 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid?
1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid has a molecular weight of 2270.40 g/mol, XLogP of 30.10, 49 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;1-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one;2-[2-[[4-[(8-fluoroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylphenoxy]pentanoic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]pentanoic acid is sourced from PubChem (CID 159619768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).