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

C17H17FN4O2S — CID 10406223

IUPAC9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCNCC3)cc1n2C1CC1
InChIInChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)
InChIKeyBEZDZMQEVWAVTH-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.79
Rot. Bonds2

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

9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 10406223) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID10406223
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCNCC3)cc1n2C1CC1
InChIInChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24)
InChIKeyBEZDZMQEVWAVTH-UHFFFAOYSA-N
XLogP1.79
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Related Compounds

1-Ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 919346
1-Ethyl-6-fluoro-7-(piperazin-1-YL)quinolin-4(1H)-one
CID 12733939
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-propyl-1,4-dihydroquinoline-3-carboxamide
CID 1893821
1-ethyl-6-fluoro-N-hexyl-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 1895893
7-(4-(aminomethyl)phenyl)-9-cyclopropyl-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 11531032
9-cyclopropyl-6-fluoro-7-(3-(piperidin-2-yl)phenyl)isothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 11539355
9-cyclopropyl-6-fluoro-7-(4-(piperidin-2-yl)phenyl)isothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 11633484
7-(4-aminophenyl)-9-cyclopropyl-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione
CID 44409010
Decarboxyciprofloxacin
CID 9838858
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-hydroxy-4-oxoquinoline-3-carboxamide (2a)
CID 126842384
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-methyl-4-oxoquinoline-3-carboxamide (3a)
CID 126842389
7-(4-Acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carbohydrazide (5a)
CID 126842394

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 10406223) is 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCNCC3)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is BEZDZMQEVWAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c18-11-7-10-12(8-13(11)21-5-3-19-4-6-21)22(9-1-2-9)17-14(15(10)23)16(24)20-25-17/h7-9,19H,1-6H2,(H,20,24).
What are the key properties of 9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6-fluoro-7-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 360.41 g/mol, XLogP of 1.79, 2 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-piperazin-1-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 10406223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).