2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid

C25H21NO4 — CID 22241469

IUPAC2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21NO4/c27-25(28)14-19-7-1-2-8-20(19)16-29-22-9-5-10-23(15-22)30-17-21-13-12-18-6-3-4-11-24(18)26-21/h1-13,15H,14,16-17H2,(H,27,28)
InChIKeyLNKSYKJFBRXQBE-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.02
Rot. Bonds8

About 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid

2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid (PubChem CID 22241469) has the molecular formula C25H21NO4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
PubChem CID22241469
Molecular FormulaC25H21NO4
Molecular Weight399.45 g/mol
Exact Mass399.15
IUPAC Name2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H21NO4/c27-25(28)14-19-7-1-2-8-20(19)16-29-22-9-5-10-23(15-22)30-17-21-13-12-18-6-3-4-11-24(18)26-21/h1-13,15H,14,16-17H2,(H,27,28)
InChIKeyLNKSYKJFBRXQBE-UHFFFAOYSA-N
XLogP5.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
tetrazol-2-yl 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetate
CID 57057491
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
(E)-6-[3-(quinolin-2-ylmethoxy)phenyl]hex-2-enoic acid
CID 139921752
2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfonyl]acetic acid
CID 139921957

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid (CID 22241469) is 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?
The InChIKey is LNKSYKJFBRXQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO4/c27-25(28)14-19-7-1-2-8-20(19)16-29-22-9-5-10-23(15-22)30-17-21-13-12-18-6-3-4-11-24(18)26-21/h1-13,15H,14,16-17H2,(H,27,28).
What are the key properties of 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid?
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid has a molecular weight of 399.45 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 22241469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).