6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid

C18H12FN3O4S — CID 91286858

IUPAC6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
SMILESCc1c(=O)n(Cc2ccc3cc(F)ccc3n2)c(=O)n2cc(C(=O)O)sc12
InChIInChI=1S/C18H12FN3O4S/c1-9-15(23)21(18(26)22-8-14(17(24)25)27-16(9)22)7-12-4-2-10-6-11(19)3-5-13(10)20-12/h2-6,8H,7H2,1H3,(H,24,25)
InChIKeyTURJQBOHYVMCIT-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.26
Rot. Bonds3

About 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid

6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid (PubChem CID 91286858) has the molecular formula C18H12FN3O4S and a molecular weight of 385.38 g/mol. Its IUPAC name is 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
PubChem CID91286858
Molecular FormulaC18H12FN3O4S
Molecular Weight385.38 g/mol
Exact Mass385.05
IUPAC Name6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid
SMILESCc1c(=O)n(Cc2ccc3cc(F)ccc3n2)c(=O)n2cc(C(=O)O)sc12
InChIInChI=1S/C18H12FN3O4S/c1-9-15(23)21(18(26)22-8-14(17(24)25)27-16(9)22)7-12-4-2-10-6-11(19)3-5-13(10)20-12/h2-6,8H,7H2,1H3,(H,24,25)
InChIKeyTURJQBOHYVMCIT-UHFFFAOYSA-N
XLogP2.26
TPSA93.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid (CID 91286858) is 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid is Cc1c(=O)n(Cc2ccc3cc(F)ccc3n2)c(=O)n2cc(C(=O)O)sc12.
What is the InChIKey of 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is TURJQBOHYVMCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O4S/c1-9-15(23)21(18(26)22-8-14(17(24)25)27-16(9)22)7-12-4-2-10-6-11(19)3-5-13(10)20-12/h2-6,8H,7H2,1H3,(H,24,25).
What are the key properties of 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid?
6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoroquinolin-2-yl)methyl]-8-methyl-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91286858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).