7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid

C20H12FN3O2S — CID 51117498

IUPAC7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2cc(F)ccc12
InChIInChI=1S/C20H12FN3O2S/c21-12-4-7-15-16(20(25)26)10-13(23-18(15)9-12)5-6-14-11-27-19(24-14)17-3-1-2-8-22-17/h1-11H,(H,25,26)/b6-5+
InChIKeyZPVKBIZEDPQJMO-AATRIKPKSA-N
MW377.40 g/mol
LogP4.76
Rot. Bonds4

About 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid

7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 51117498) has the molecular formula C20H12FN3O2S and a molecular weight of 377.40 g/mol. Its IUPAC name is 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid
PubChem CID51117498
Molecular FormulaC20H12FN3O2S
Molecular Weight377.40 g/mol
Exact Mass377.06
IUPAC Name7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2cc(F)ccc12
InChIInChI=1S/C20H12FN3O2S/c21-12-4-7-15-16(20(25)26)10-13(23-18(15)9-12)5-6-14-11-27-19(24-14)17-3-1-2-8-22-17/h1-11H,(H,25,26)/b6-5+
InChIKeyZPVKBIZEDPQJMO-AATRIKPKSA-N
XLogP4.76
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid (CID 51117498) is 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(/C=C/c2csc(-c3ccccn3)n2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is ZPVKBIZEDPQJMO-AATRIKPKSA-N. The full InChI is InChI=1S/C20H12FN3O2S/c21-12-4-7-15-16(20(25)26)10-13(23-18(15)9-12)5-6-14-11-27-19(24-14)17-3-1-2-8-22-17/h1-11H,(H,25,26)/b6-5+.
What are the key properties of 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid?
7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 51117498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).