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

C22H18FN3O3S — CID 11996800

IUPAC9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C22H18FN3O3S/c1-29-20-16(10-2-3-11-8-24-9-12(11)6-10)15(23)7-14-18(20)26(13-4-5-13)22-17(19(14)27)21(28)25-30-22/h2-3,6-7,13,24H,4-5,8-9H2,1H3,(H,25,28)
InChIKeyINFOMPWYYGJYFO-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.66
Rot. Bonds3

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

9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 11996800) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol. Its IUPAC name is 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID11996800
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESCOc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12
InChIInChI=1S/C22H18FN3O3S/c1-29-20-16(10-2-3-11-8-24-9-12(11)6-10)15(23)7-14-18(20)26(13-4-5-13)22-17(19(14)27)21(28)25-30-22/h2-3,6-7,13,24H,4-5,8-9H2,1H3,(H,25,28)
InChIKeyINFOMPWYYGJYFO-UHFFFAOYSA-N
XLogP3.66
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 11996800) is 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12.
What is the InChIKey of 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is INFOMPWYYGJYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-29-20-16(10-2-3-11-8-24-9-12(11)6-10)15(23)7-14-18(20)26(13-4-5-13)22-17(19(14)27)21(28)25-30-22/h2-3,6-7,13,24H,4-5,8-9H2,1H3,(H,25,28).
What are the key properties of 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 423.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 11996800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).