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

C106H91Cl3N4O21 — CID 158065907

About 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

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 (PubChem CID 158065907) has the molecular formula C106H91Cl3N4O21 and a molecular weight of 1863.26 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158065907
• Molecular Formula: C106H91Cl3N4O21
• Molecular Weight: 1863.26 g/mol
• Exact Mass: 1860.52
• IUPAC Name: 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
• SMILES: C=C(O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COC(=O)CCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)OC.O=C(O)COc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C30H29NO7.C26H22ClNO4.2C25H20ClNO5/c1-34-29(32)18-17-28(30(33)35-2)38-27-10-6-4-8-22(27)19-36-24-13-15-25(16-14-24)37-20-23-12-11-21-7-3-5-9-26(21)31-23;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;26-19-9-11-24(32-16-25(28)29)18(12-19)14-30-21-5-3-6-22(13-21)31-15-20-10-8-17-4-1-2-7-23(17)27-20;26-19-6-12-24(32-16-25(28)29)18(13-19)14-30-21-8-10-22(11-9-21)31-15-20-7-5-17-3-1-2-4-23(17)27-20/h3-16,28H,17-20H2,1-2H3;2-14,29H,1,15-17H2;2*1-13H,14-16H2,(H,28,29)
• InChIKey: FLFIECHZRWVWRK-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 309.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.26
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C(O)COc1c(Cl)cccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COC(=O)CCC(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)OC.O=C(O)COc1ccc(Cl)cc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of 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?

The InChIKey is FLFIECHZRWVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO7.C26H22ClNO4.2C25H20ClNO5/c1-34-29(32)18-17-28(30(33)35-2)38-27-10-6-4-8-22(27)19-36-24-13-15-25(16-14-24)37-20-23-12-11-21-7-3-5-9-26(21)31-23;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;26-19-9-11-24(32-16-25(28)29)18(12-19)14-30-21-5-3-6-22(13-21)31-15-20-10-8-17-4-1-2-7-23(17)27-20;26-19-6-12-24(32-16-25(28)29)18(13-19)14-30-21-8-10-22(11-9-21)31-15-20-7-5-17-3-1-2-4-23(17)27-20/h3-16,28H,17-20H2,1-2H3;2-14,29H,1,15-17H2;2*1-13H,14-16H2,(H,28,29).

What are the key properties of 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?

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 has a molecular weight of 1863.26 g/mol, XLogP of 22.78, 39 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158065907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).