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

C22H18FN3O2S — CID 58426787

IUPAC9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4c(c3)CCCN4)cc1n2C1CC1
InChIInChI=1S/C22H18FN3O2S/c23-16-9-15-18(10-14(16)11-3-6-17-12(8-11)2-1-7-24-17)26(13-4-5-13)22-19(20(15)27)21(28)25-29-22/h3,6,8-10,13,24H,1-2,4-5,7H2,(H,25,28)
InChIKeyWYJAPBZSMDRTRA-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.40
Rot. Bonds2

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

9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 58426787) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID58426787
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4c(c3)CCCN4)cc1n2C1CC1
InChIInChI=1S/C22H18FN3O2S/c23-16-9-15-18(10-14(16)11-3-6-17-12(8-11)2-1-7-24-17)26(13-4-5-13)22-19(20(15)27)21(28)25-29-22/h3,6,8-10,13,24H,1-2,4-5,7H2,(H,25,28)
InChIKeyWYJAPBZSMDRTRA-UHFFFAOYSA-N
XLogP4.40
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-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-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 58426787) is 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(-c3ccc4c(c3)CCCN4)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is WYJAPBZSMDRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-16-9-15-18(10-14(16)11-3-6-17-12(8-11)2-1-7-24-17)26(13-4-5-13)22-19(20(15)27)21(28)25-29-22/h3,6,8-10,13,24H,1-2,4-5,7H2,(H,25,28).
What are the key properties of 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 407.47 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-fluoro-7-(1,2,3,4-tetrahydroquinolin-6-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 58426787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).