10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione

C22H18FN3O2S — CID 11640102

IUPAC10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
SMILESCC1NCc2cc(-c3cc4c(C5CC5)c5s[nH]c(=O)c5c(=O)n4cc3F)ccc21
InChIInChI=1S/C22H18FN3O2S/c1-10-14-5-4-12(6-13(14)8-24-10)15-7-17-18(11-2-3-11)20-19(21(27)25-29-20)22(28)26(17)9-16(15)23/h4-7,9-11,24H,2-3,8H2,1H3,(H,25,27)
InChIKeyKFWBKKVGELLYDS-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.05
Rot. Bonds2

About 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione

10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione (PubChem CID 11640102) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione.

Molecular Properties

Compound Name10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
PubChem CID11640102
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
SMILESCC1NCc2cc(-c3cc4c(C5CC5)c5s[nH]c(=O)c5c(=O)n4cc3F)ccc21
InChIInChI=1S/C22H18FN3O2S/c1-10-14-5-4-12(6-13(14)8-24-10)15-7-17-18(11-2-3-11)20-19(21(27)25-29-20)22(28)26(17)9-16(15)23/h4-7,9-11,24H,2-3,8H2,1H3,(H,25,27)
InChIKeyKFWBKKVGELLYDS-UHFFFAOYSA-N
XLogP4.05
TPSA66.37 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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The IUPAC name of 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione (CID 11640102) is 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione.
What is the SMILES notation for 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The canonical SMILES for 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione is CC1NCc2cc(-c3cc4c(C5CC5)c5s[nH]c(=O)c5c(=O)n4cc3F)ccc21.
What is the InChIKey of 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The InChIKey is KFWBKKVGELLYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-10-14-5-4-12(6-13(14)8-24-10)15-7-17-18(11-2-3-11)20-19(21(27)25-29-20)22(28)26(17)9-16(15)23/h4-7,9-11,24H,2-3,8H2,1H3,(H,25,27).
What are the key properties of 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione has a molecular weight of 407.47 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-7-fluoro-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione is sourced from PubChem (CID 11640102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).