9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C22H19FN2O4S — CID 89431332

IUPAC9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCc1c(-c2ccc(O)c(OC)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C22H19FN2O4S/c1-3-12-17(10-4-7-15(26)16(8-10)29-2)14(23)9-13-19(12)25(11-5-6-11)22-18(20(13)27)21(28)24-30-22/h4,7-9,11,26H,3,5-6H2,1-2H3,(H,24,28)
InChIKeyMWOOJGHYLMVZSM-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.32
Rot. Bonds4

About 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 89431332) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID89431332
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCc1c(-c2ccc(O)c(OC)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C22H19FN2O4S/c1-3-12-17(10-4-7-15(26)16(8-10)29-2)14(23)9-13-19(12)25(11-5-6-11)22-18(20(13)27)21(28)24-30-22/h4,7-9,11,26H,3,5-6H2,1-2H3,(H,24,28)
InChIKeyMWOOJGHYLMVZSM-UHFFFAOYSA-N
XLogP4.32
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 89431332) is 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCc1c(-c2ccc(O)c(OC)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is MWOOJGHYLMVZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-3-12-17(10-4-7-15(26)16(8-10)29-2)14(23)9-13-19(12)25(11-5-6-11)22-18(20(13)27)21(28)24-30-22/h4,7-9,11,26H,3,5-6H2,1-2H3,(H,24,28).
What are the key properties of 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 426.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-8-ethyl-6-fluoro-7-(4-hydroxy-3-methoxyphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 89431332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).