1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one

C26H23NO4 — CID 59117230

IUPAC1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23NO4/c1-19(28)16-31-26-12-5-3-8-21(26)17-29-23-9-6-10-24(15-23)30-18-22-14-13-20-7-2-4-11-25(20)27-22/h2-15H,16-18H2,1H3
InChIKeyGABMSPXQVYRYNS-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.36
Rot. Bonds9

About 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one

1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one (PubChem CID 59117230) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
PubChem CID59117230
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
SMILESCC(=O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C26H23NO4/c1-19(28)16-31-26-12-5-3-8-21(26)17-29-23-9-6-10-24(15-23)30-18-22-14-13-20-7-2-4-11-25(20)27-22/h2-15H,16-18H2,1H3
InChIKeyGABMSPXQVYRYNS-UHFFFAOYSA-N
XLogP5.36
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one with MolForge

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Related Compounds

3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
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-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
tetrazol-2-yl 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetate
CID 57057491
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propane-1,1-diol
CID 142083985

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one?
The IUPAC name of 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one (CID 59117230) is 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one.
What is the SMILES notation for 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one?
The canonical SMILES for 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one is CC(=O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one?
The InChIKey is GABMSPXQVYRYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-19(28)16-31-26-12-5-3-8-21(26)17-29-23-9-6-10-24(15-23)30-18-22-14-13-20-7-2-4-11-25(20)27-22/h2-15H,16-18H2,1H3.
What are the key properties of 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one?
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one has a molecular weight of 413.47 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one is sourced from PubChem (CID 59117230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).