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

C26H23NO5 — CID 57172256

IUPAC3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23NO5/c28-26(29)14-15-30-25-11-4-2-7-20(25)17-31-22-8-5-9-23(16-22)32-18-21-13-12-19-6-1-3-10-24(19)27-21/h1-13,16H,14-15,17-18H2,(H,28,29)
InChIKeyKNTJBZYQKSUBBY-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.25
Rot. Bonds10

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

3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid (PubChem CID 57172256) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
PubChem CID57172256
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
SMILESO=C(O)CCOc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23NO5/c28-26(29)14-15-30-25-11-4-2-7-20(25)17-31-22-8-5-9-23(16-22)32-18-21-13-12-19-6-1-3-10-24(19)27-21/h1-13,16H,14-15,17-18H2,(H,28,29)
InChIKeyKNTJBZYQKSUBBY-UHFFFAOYSA-N
XLogP5.25
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
3-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57041875
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
tetrazol-2-yl 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetate
CID 57057491
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The IUPAC name of 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid (CID 57172256) is 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The canonical SMILES for 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid is O=C(O)CCOc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
The InChIKey is KNTJBZYQKSUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c28-26(29)14-15-30-25-11-4-2-7-20(25)17-31-22-8-5-9-23(16-22)32-18-21-13-12-19-6-1-3-10-24(19)27-21/h1-13,16H,14-15,17-18H2,(H,28,29).
What are the key properties of 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid?
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid has a molecular weight of 429.47 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 57172256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).