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

C23H20FN3O3S — CID 11996801

IUPAC9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CCNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C23H20FN3O3S/c1-30-21-17(12-2-3-13-10-25-7-6-11(13)8-12)16(24)9-15-19(21)27(14-4-5-14)23-18(20(15)28)22(29)26-31-23/h2-3,8-9,14,25H,4-7,10H2,1H3,(H,26,29)
InChIKeyLYOJRODQNKBRCL-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.70
Rot. Bonds3

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

9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11996801) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11996801
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CCNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C23H20FN3O3S/c1-30-21-17(12-2-3-13-10-25-7-6-11(13)8-12)16(24)9-15-19(21)27(14-4-5-14)23-18(20(15)28)22(29)26-31-23/h2-3,8-9,14,25H,4-7,10H2,1H3,(H,26,29)
InChIKeyLYOJRODQNKBRCL-UHFFFAOYSA-N
XLogP3.70
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11996801) is 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1c(-c2ccc3c(c2)CCNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is LYOJRODQNKBRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-30-21-17(12-2-3-13-10-25-7-6-11(13)8-12)16(24)9-15-19(21)27(14-4-5-14)23-18(20(15)28)22(29)26-31-23/h2-3,8-9,14,25H,4-7,10H2,1H3,(H,26,29).
What are the key properties of 9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 437.50 g/mol, XLogP of 3.70, 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-8-methoxy-7-(1,2,3,4-tetrahydroisoquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11996801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).