7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C18H11N3O3S — CID 10172267

IUPAC7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1-c1csc(-c2ccncc2)n1)OCO3
InChIInChI=1S/C18H11N3O3S/c22-17-12(14-8-25-18(21-14)10-1-3-19-4-2-10)5-11-6-15-16(24-9-23-15)7-13(11)20-17/h1-8H,9H2,(H,20,22)
InChIKeyLPXKLIVJYXOLJD-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.44
Rot. Bonds2

About 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 10172267) has the molecular formula C18H11N3O3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID10172267
Molecular FormulaC18H11N3O3S
Molecular Weight349.37 g/mol
Exact Mass349.05
IUPAC Name7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1[nH]c2cc3c(cc2cc1-c1csc(-c2ccncc2)n1)OCO3
InChIInChI=1S/C18H11N3O3S/c22-17-12(14-8-25-18(21-14)10-1-3-19-4-2-10)5-11-6-15-16(24-9-23-15)7-13(11)20-17/h1-8H,9H2,(H,20,22)
InChIKeyLPXKLIVJYXOLJD-UHFFFAOYSA-N
XLogP3.44
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 10172267) is 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1[nH]c2cc3c(cc2cc1-c1csc(-c2ccncc2)n1)OCO3.
What is the InChIKey of 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is LPXKLIVJYXOLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O3S/c22-17-12(14-8-25-18(21-14)10-1-3-19-4-2-10)5-11-6-15-16(24-9-23-15)7-13(11)20-17/h1-8H,9H2,(H,20,22).
What are the key properties of 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 349.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-pyridin-4-yl-1,3-thiazol-4-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 10172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).