5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid

C23H18N2O4 — CID 22241573

IUPAC5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C23H18N2O4/c26-23(27)18-11-21(13-24-12-18)28-14-16-4-3-6-20(10-16)29-15-19-9-8-17-5-1-2-7-22(17)25-19/h1-13H,14-15H2,(H,26,27)
InChIKeySBLNJPPJMRNDJM-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.49
Rot. Bonds7

About 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid

5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 22241573) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID22241573
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C23H18N2O4/c26-23(27)18-11-21(13-24-12-18)28-14-16-4-3-6-20(10-16)29-15-19-9-8-17-5-1-2-7-22(17)25-19/h1-13H,14-15H2,(H,26,27)
InChIKeySBLNJPPJMRNDJM-UHFFFAOYSA-N
XLogP4.49
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid (CID 22241573) is 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is SBLNJPPJMRNDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-23(27)18-11-21(13-24-12-18)28-14-16-4-3-6-20(10-16)29-15-19-9-8-17-5-1-2-7-22(17)25-19/h1-13H,14-15H2,(H,26,27).
What are the key properties of 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid?
5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 22241573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).