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

C21H17FN2O3S — CID 58426801

IUPAC9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1cc(C)ccc1-c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C21H17FN2O3S/c1-10-3-6-12(17(7-10)27-2)13-9-16-14(8-15(13)22)19(25)18-20(26)23-28-21(18)24(16)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,23,26)
InChIKeyRADYVVZAZJQFAM-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.36
Rot. Bonds3

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

9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 58426801) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID58426801
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1cc(C)ccc1-c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C21H17FN2O3S/c1-10-3-6-12(17(7-10)27-2)13-9-16-14(8-15(13)22)19(25)18-20(26)23-28-21(18)24(16)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,23,26)
InChIKeyRADYVVZAZJQFAM-UHFFFAOYSA-N
XLogP4.36
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 58426801) is 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1cc(C)ccc1-c1cc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is RADYVVZAZJQFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-10-3-6-12(17(7-10)27-2)13-9-16-14(8-15(13)22)19(25)18-20(26)23-28-21(18)24(16)11-4-5-11/h3,6-9,11H,4-5H2,1-2H3,(H,23,26).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 396.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 58426801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).