3-quinolin-5-yloxypyrazine-2-carboxylic acid

C14H9N3O3 — CID 103045923

IUPAC3-quinolin-5-yloxypyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1cccc2ncccc12
InChIInChI=1S/C14H9N3O3/c18-14(19)12-13(17-8-7-16-12)20-11-5-1-4-10-9(11)3-2-6-15-10/h1-8H,(H,18,19)
InChIKeyONBVDFOFYCAFLZ-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.52
Rot. Bonds3

About 3-quinolin-5-yloxypyrazine-2-carboxylic acid

3-quinolin-5-yloxypyrazine-2-carboxylic acid (PubChem CID 103045923) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-quinolin-5-yloxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-quinolin-5-yloxypyrazine-2-carboxylic acid
PubChem CID103045923
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name3-quinolin-5-yloxypyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1cccc2ncccc12
InChIInChI=1S/C14H9N3O3/c18-14(19)12-13(17-8-7-16-12)20-11-5-1-4-10-9(11)3-2-6-15-10/h1-8H,(H,18,19)
InChIKeyONBVDFOFYCAFLZ-UHFFFAOYSA-N
XLogP2.52
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
5-pyridin-4-yloxyquinoline
CID 91445201
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
5-(4-methoxyphenoxy)quinoline
CID 122457274
3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid
CID 66355102
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
2-quinolin-5-yloxybenzaldehyde
CID 103045116
3-methoxypyrazine-2-carboxylic acid
CID 22395692

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-5-yloxypyrazine-2-carboxylic acid?
The IUPAC name of 3-quinolin-5-yloxypyrazine-2-carboxylic acid (CID 103045923) is 3-quinolin-5-yloxypyrazine-2-carboxylic acid.
What is the SMILES notation for 3-quinolin-5-yloxypyrazine-2-carboxylic acid?
The canonical SMILES for 3-quinolin-5-yloxypyrazine-2-carboxylic acid is O=C(O)c1nccnc1Oc1cccc2ncccc12.
What is the InChIKey of 3-quinolin-5-yloxypyrazine-2-carboxylic acid?
The InChIKey is ONBVDFOFYCAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14(19)12-13(17-8-7-16-12)20-11-5-1-4-10-9(11)3-2-6-15-10/h1-8H,(H,18,19).
What are the key properties of 3-quinolin-5-yloxypyrazine-2-carboxylic acid?
3-quinolin-5-yloxypyrazine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-5-yloxypyrazine-2-carboxylic acid is sourced from PubChem (CID 103045923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).