9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C21H14FN3O2S — CID 11531250

IUPAC9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4[nH]ccc4c3)cc1n2C1CC1
InChIInChI=1S/C21H14FN3O2S/c22-15-8-14-17(9-13(15)10-1-4-16-11(7-10)5-6-23-16)25(12-2-3-12)21-18(19(14)26)20(27)24-28-21/h1,4-9,12,23H,2-3H2,(H,24,27)
InChIKeyKIIHYLQTRPZXOO-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.53
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11531250) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11531250
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC Name9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4[nH]ccc4c3)cc1n2C1CC1
InChIInChI=1S/C21H14FN3O2S/c22-15-8-14-17(9-13(15)10-1-4-16-11(7-10)5-6-23-16)25(12-2-3-12)21-18(19(14)26)20(27)24-28-21/h1,4-9,12,23H,2-3H2,(H,24,27)
InChIKeyKIIHYLQTRPZXOO-UHFFFAOYSA-N
XLogP4.53
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Related Compounds

9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
7-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 59999527
9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426787
9-cyclopropyl-6-fluoro-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426798
9-cyclopropyl-6-fluoro-7-[2-(methoxyiminomethyl)-4-pyridinyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 91506472
tert-butyl 5-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)-1,3-dihydroisoindole-2-carboxylate
CID 11591303
9-cyclopropyl-6-fluoro-7-[4-(2-morpholin-4-ylethoxy)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426900
9-cyclopropyl-6-fluoro-7-[1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 159035467
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901
7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 70849221

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11531250) is 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4[nH]ccc4c3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is KIIHYLQTRPZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-15-8-14-17(9-13(15)10-1-4-16-11(7-10)5-6-23-16)25(12-2-3-12)21-18(19(14)26)20(27)24-28-21/h1,4-9,12,23H,2-3H2,(H,24,27).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 391.43 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11531250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).