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

C135H123ClFN9O16 — CID 91060400

About 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

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 (PubChem CID 91060400) has the molecular formula C135H123ClFN9O16 and a molecular weight of 2181.97 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 91060400
• Molecular Formula: C135H123ClFN9O16
• Molecular Weight: 2181.97 g/mol
• Exact Mass: 2179.88
• IUPAC Name: 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
• SMILES: C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.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.CCc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C29H28FNO5.C29H29NO4.C26H22ClNO4.C26H21N5O.C25H23NO2/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)15-32-26-12-10-21(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;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23;1-2-19-8-3-4-10-21(19)17-27-23-11-7-12-24(16-23)28-18-22-15-14-20-9-5-6-13-25(20)26-22/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);2-14H,15-17H2,1H3;1-16H,17-18H2,(H,28,29,30,31);3-16H,2,17-18H2,1H3/b;;;12-9+
• InChIKey: OLWDPMUFIAAEST-FIRCNMGNSA-N
• XLogP: 29.97
• TPSA: 312.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 45
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.97
LogP ≤ 5	29.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.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.CCc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of 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?

The InChIKey is OLWDPMUFIAAEST-FIRCNMGNSA-N. The full InChI is InChI=1S/C29H28FNO5.C29H29NO4.C26H22ClNO4.C26H21N5O.C25H23NO2/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)15-32-26-12-10-21(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;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23;1-2-19-8-3-4-10-21(19)17-27-23-11-7-12-24(16-23)28-18-22-15-14-20-9-5-6-13-25(20)26-22/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);2-14H,15-17H2,1H3;1-16H,17-18H2,(H,28,29,30,31);3-16H,2,17-18H2,1H3/b;;;12-9+;.

What are the key properties of 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?

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 has a molecular weight of 2181.97 g/mol, XLogP of 29.97, 45 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 91060400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).