4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid

C14H10N2O4S — CID 58485160

IUPAC4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid
SMILESCC(=O)Cc1nc2c(=O)[nH]c3cc(C(=O)O)ccc3c2s1
InChIInChI=1S/C14H10N2O4S/c1-6(17)4-10-16-11-12(21-10)8-3-2-7(14(19)20)5-9(8)15-13(11)18/h2-3,5H,4H2,1H3,(H,15,18)(H,19,20)
InChIKeyVLRQWZOVWZVJQR-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.97
Rot. Bonds3

About 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid

4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid (PubChem CID 58485160) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid
PubChem CID58485160
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid
SMILESCC(=O)Cc1nc2c(=O)[nH]c3cc(C(=O)O)ccc3c2s1
InChIInChI=1S/C14H10N2O4S/c1-6(17)4-10-16-11-12(21-10)8-3-2-7(14(19)20)5-9(8)15-13(11)18/h2-3,5H,4H2,1H3,(H,15,18)(H,19,20)
InChIKeyVLRQWZOVWZVJQR-UHFFFAOYSA-N
XLogP1.97
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid (CID 58485160) is 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid is CC(=O)Cc1nc2c(=O)[nH]c3cc(C(=O)O)ccc3c2s1.
What is the InChIKey of 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid?
The InChIKey is VLRQWZOVWZVJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-6(17)4-10-16-11-12(21-10)8-3-2-7(14(19)20)5-9(8)15-13(11)18/h2-3,5H,4H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid?
4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(2-oxopropyl)-5H-[1,3]thiazolo[4,5-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 58485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).