2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid

C18H11N3O3S — CID 22638539

IUPAC2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C18H11N3O3S/c22-16-13(8-12-11(18(23)24)2-1-3-14(12)20-16)15-9-25-17(21-15)10-4-6-19-7-5-10/h1-9H,(H,20,22)(H,23,24)
InChIKeyBZELZYNRRZHOOH-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.41
Rot. Bonds3

About 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid

2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid (PubChem CID 22638539) has the molecular formula C18H11N3O3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid
PubChem CID22638539
Molecular FormulaC18H11N3O3S
Molecular Weight349.37 g/mol
Exact Mass349.05
IUPAC Name2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C18H11N3O3S/c22-16-13(8-12-11(18(23)24)2-1-3-14(12)20-16)15-9-25-17(21-15)10-4-6-19-7-5-10/h1-9H,(H,20,22)(H,23,24)
InChIKeyBZELZYNRRZHOOH-UHFFFAOYSA-N
XLogP3.41
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid?
The IUPAC name of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid (CID 22638539) is 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid is O=C(O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12.
What is the InChIKey of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid?
The InChIKey is BZELZYNRRZHOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3S/c22-16-13(8-12-11(18(23)24)2-1-3-14(12)20-16)15-9-25-17(21-15)10-4-6-19-7-5-10/h1-9H,(H,20,22)(H,23,24).
What are the key properties of 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid?
2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid has a molecular weight of 349.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 22638539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).