3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid

C16H12N2O3 — CID 61380083

IUPAC3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C16H12N2O3/c19-16(20)15-14(4-2-8-18-15)21-10-11-5-6-13-12(9-11)3-1-7-17-13/h1-9H,10H2,(H,19,20)
InChIKeyDHSLUVPFQPYWEK-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.91
Rot. Bonds4

About 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid

3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid (PubChem CID 61380083) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
PubChem CID61380083
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OCc1ccc2ncccc2c1
InChIInChI=1S/C16H12N2O3/c19-16(20)15-14(4-2-8-18-15)21-10-11-5-6-13-12(9-11)3-1-7-17-13/h1-9H,10H2,(H,19,20)
InChIKeyDHSLUVPFQPYWEK-UHFFFAOYSA-N
XLogP2.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 28776532
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
2-(quinolin-6-ylmethoxy)benzenecarbothioamide
CID 28776448
[5-fluoro-2-(quinolin-6-ylmethoxy)phenyl]methanol
CID 107698620
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024
2,5-dimethyl-4-(quinolin-6-ylmethoxy)aniline
CID 63180873
6-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691122
[4-methyl-3-(quinolin-6-ylmethoxy)phenyl]methanamine
CID 107655742
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid (CID 61380083) is 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1OCc1ccc2ncccc2c1.
What is the InChIKey of 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid?
The InChIKey is DHSLUVPFQPYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)15-14(4-2-8-18-15)21-10-11-5-6-13-12(9-11)3-1-7-17-13/h1-9H,10H2,(H,19,20).
What are the key properties of 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid?
3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylmethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 61380083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).