2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid

C103H90N4O14 — CID 90758679

About 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid

2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid (PubChem CID 90758679) has the molecular formula C103H90N4O14 and a molecular weight of 1607.80 g/mol. Its IUPAC name is 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid
• PubChem CID: 90758679
• Molecular Formula: C103H90N4O14
• Molecular Weight: 1607.80 g/mol
• Exact Mass: 1607.65
• IUPAC Name: 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid
• SMILES: CC(=O)CC1=CC=CC=C1CCC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3.C=C(COC1=CC=C(C=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O.C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CC4=CC=CC=C4CC(=O)O.C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=C(C=C4)OCC(=O)O
• InChI: InChI=1S/C27H25NO2.C26H23NO4.C25H21NO5.C25H21NO3/c1-20(29)18-24-8-3-2-6-22(24)13-10-21-11-16-26(17-12-21)30-19-25-15-14-23-7-4-5-9-27(23)28-25;1-19(28)16-29-23-13-9-20(10-14-23)17-30-24-6-4-7-25(15-24)31-18-22-12-11-21-5-2-3-8-26(21)27-22;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22/h2-9,11-12,14-17H,10,13,18-19H2,1H3;2-15,28H,1,16-18H2;1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28)
• InChIKey: HEWRQKAITSYQFI-UHFFFAOYSA-N
• XLogP: —
• TPSA: 237.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 121
• Complexity: 2130

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid?

The IUPAC name of 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid (CID 90758679) is 2-[4-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid.

What is the SMILES notation for 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid?

The canonical SMILES for 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid is CC(=O)CC1=CC=CC=C1CCC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3.C=C(COC1=CC=C(C=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O.C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)CC4=CC=CC=C4CC(=O)O.C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC=C(C=C4)OCC(=O)O.

What is the InChIKey of 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid?

The InChIKey is HEWRQKAITSYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2.C26H23NO4.C25H21NO5.C25H21NO3/c1-20(29)18-24-8-3-2-6-22(24)13-10-21-11-16-26(17-12-21)30-19-25-15-14-23-7-4-5-9-27(23)28-25;1-19(28)16-29-23-13-9-20(10-14-23)17-30-24-6-4-7-25(15-24)31-18-22-12-11-21-5-2-3-8-26(21)27-22;27-25(28)17-31-21-9-5-18(6-10-21)15-29-22-11-13-23(14-12-22)30-16-20-8-7-19-3-1-2-4-24(19)26-20;27-25(28)16-21-7-2-1-6-20(21)15-18-9-13-23(14-10-18)29-17-22-12-11-19-5-3-4-8-24(19)26-22/h2-9,11-12,14-17H,10,13,18-19H2,1H3;2-15,28H,1,16-18H2;1-14H,15-17H2,(H,27,28);1-14H,15-17H2,(H,27,28).

What are the key properties of 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid?

2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid has a molecular weight of 1607.80 g/mol, XLogP of not available, 33 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-(Quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]prop-1-en-2-ol;1-[2-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]phenyl]propan-2-one;2-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]phenyl]acetic acid is sourced from PubChem (CID 90758679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).