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

C21H17FN2O3S — CID 11560308

IUPAC9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCOc1cccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)c1
InChIInChI=1S/C21H17FN2O3S/c1-2-27-13-5-3-4-11(8-13)14-10-17-15(9-16(14)22)19(25)18-20(26)23-28-21(18)24(17)12-6-7-12/h3-5,8-10,12H,2,6-7H2,1H3,(H,23,26)
InChIKeyYJAWLQYSBQEWNA-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.44
Rot. Bonds4

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

9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11560308) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11560308
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCCOc1cccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)c1
InChIInChI=1S/C21H17FN2O3S/c1-2-27-13-5-3-4-11(8-13)14-10-17-15(9-16(14)22)19(25)18-20(26)23-28-21(18)24(17)12-6-7-12/h3-5,8-10,12H,2,6-7H2,1H3,(H,23,26)
InChIKeyYJAWLQYSBQEWNA-UHFFFAOYSA-N
XLogP4.44
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11560308) is 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is CCOc1cccc(-c2cc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)c1.
What is the InChIKey of 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is YJAWLQYSBQEWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-2-27-13-5-3-4-11(8-13)14-10-17-15(9-16(14)22)19(25)18-20(26)23-28-21(18)24(17)12-6-7-12/h3-5,8-10,12H,2,6-7H2,1H3,(H,23,26).
What are the key properties of 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 396.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-(3-ethoxyphenyl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11560308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).