8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid

C16H12N2O3 — CID 172876379

IUPAC8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(OCc3ccccn3)c2n1
InChIInChI=1S/C16H12N2O3/c19-16(20)13-8-7-11-4-3-6-14(15(11)18-13)21-10-12-5-1-2-9-17-12/h1-9H,10H2,(H,19,20)
InChIKeyFYZHLMOUXDSVPS-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.91
Rot. Bonds4

About 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid

8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid (PubChem CID 172876379) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid
PubChem CID172876379
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cccc(OCc3ccccn3)c2n1
InChIInChI=1S/C16H12N2O3/c19-16(20)13-8-7-11-4-3-6-14(15(11)18-13)21-10-12-5-1-2-9-17-12/h1-9H,10H2,(H,19,20)
InChIKeyFYZHLMOUXDSVPS-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

Benzoxiquine
CID 6855
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
8-Quinolinol, benzoate (1:1)
CID 62626
8-Acetoxyquinoline
CID 75777
5-fluoro-PB-22
CID 72710774
3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
3-Methylbut-2-enyl 4,8-bis(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 73602831
quinolin-8-yl (E)-3-phenylprop-2-enoate
CID 701842
quinolin-8-yl (E)-3-(furan-2-yl)prop-2-enoate
CID 778948
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
2-[3-(8-Quinolinyloxy)propoxy]benzaldehyde
CID 2994188

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid?
The IUPAC name of 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid (CID 172876379) is 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid.
What is the SMILES notation for 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid?
The canonical SMILES for 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid is O=C(O)c1ccc2cccc(OCc3ccccn3)c2n1.
What is the InChIKey of 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid?
The InChIKey is FYZHLMOUXDSVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-16(20)13-8-7-11-4-3-6-14(15(11)18-13)21-10-12-5-1-2-9-17-12/h1-9H,10H2,(H,19,20).
What are the key properties of 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid?
8-(pyridin-2-ylmethoxy)quinoline-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 8-(pyridin-2-ylmethoxy)quinoline-2-carboxylic acid is sourced from PubChem (CID 172876379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).