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

C20H15FN2O4S — CID 11997410

IUPAC9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2cccc(O)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C20H15FN2O4S/c1-27-18-14(9-3-2-4-11(24)7-9)13(21)8-12-16(18)23(10-5-6-10)20-15(17(12)25)19(26)22-28-20/h2-4,7-8,10,24H,5-6H2,1H3,(H,22,26)
InChIKeyQTWDFALPBNRQFD-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.76
Rot. Bonds3

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

9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11997410) has the molecular formula C20H15FN2O4S and a molecular weight of 398.42 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11997410
Molecular FormulaC20H15FN2O4S
Molecular Weight398.42 g/mol
Exact Mass398.07
IUPAC Name9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2cccc(O)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C20H15FN2O4S/c1-27-18-14(9-3-2-4-11(24)7-9)13(21)8-12-16(18)23(10-5-6-10)20-15(17(12)25)19(26)22-28-20/h2-4,7-8,10,24H,5-6H2,1H3,(H,22,26)
InChIKeyQTWDFALPBNRQFD-UHFFFAOYSA-N
XLogP3.76
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11997410) is 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1c(-c2cccc(O)c2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is QTWDFALPBNRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S/c1-27-18-14(9-3-2-4-11(24)7-9)13(21)8-12-16(18)23(10-5-6-10)20-15(17(12)25)19(26)22-28-20/h2-4,7-8,10,24H,5-6H2,1H3,(H,22,26).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 398.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(3-hydroxyphenyl)-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11997410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).