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

IUPAC2-[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
SMILESC=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.CC(=O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=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)
InChIKeyHEWRQKAITSYQFI-UHFFFAOYSA-N
MW1607.87 g/mol
LogP21.46
Rot. Bonds33

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 1607.87 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 Name2-[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 CID90758679
Molecular FormulaC103H90N4O14
Molecular Weight1607.87 g/mol
Exact Mass1606.65
IUPAC Name2-[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
SMILESC=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.CC(=O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=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)
InChIKeyHEWRQKAITSYQFI-UHFFFAOYSA-N
XLogP21.46
TPSA237.30 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001607.87
LogP ≤ 521.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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CID 9809063
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CID 10698648
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CID 158090454
CID 158090454

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 C=C(O)COc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1.CC(=O)Cc1ccccc1CCc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc1.O=C(O)Cc1ccccc1Cc1ccc(OCc2ccc3ccccc3n2)cc1.
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 1607.87 g/mol, XLogP of 21.46, 33 rotatable bonds, 3 hydrogen bond donors, and 16 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).