9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one

C18H18FN3O2S — CID 66718445

IUPAC9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
SMILESO=c1c2cc(F)c(N3CCNCC3)cc2n(C2CC2)c2scc(O)c12
InChIInChI=1S/C18H18FN3O2S/c19-12-7-11-13(8-14(12)21-5-3-20-4-6-21)22(10-1-2-10)18-16(17(11)24)15(23)9-25-18/h7-10,20,23H,1-6H2
InChIKeyBUTFRQACWKYYAW-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.81
Rot. Bonds2

About 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one

9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one (PubChem CID 66718445) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
PubChem CID66718445
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
SMILESO=c1c2cc(F)c(N3CCNCC3)cc2n(C2CC2)c2scc(O)c12
InChIInChI=1S/C18H18FN3O2S/c19-12-7-11-13(8-14(12)21-5-3-20-4-6-21)22(10-1-2-10)18-16(17(11)24)15(23)9-25-18/h7-10,20,23H,1-6H2
InChIKeyBUTFRQACWKYYAW-UHFFFAOYSA-N
XLogP2.81
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-2-formyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 54471087
9-cyclopropyl-6-fluoro-3-methyl-7-(3-methylpiperazin-1-yl)-4-oxothieno[2,3-b]quinoline-2-carboxamide;9-cyclopropyl-6-fluoro-3-methyl-4-oxo-7-piperazin-1-ylthieno[2,3-b]quinoline-2-carboxamide
CID 123960726
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
CID 70992693
9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452
6-fluoro-1-(fluoromethyl)-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 10713991
(Z)-but-2-enedioic acid;1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 46190704
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;propanoic acid
CID 174787606
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;methanesulfonic acid
CID 46190771
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione;hydrochloride
CID 66742002
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one?
The IUPAC name of 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one (CID 66718445) is 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one.
What is the SMILES notation for 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one?
The canonical SMILES for 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one is O=c1c2cc(F)c(N3CCNCC3)cc2n(C2CC2)c2scc(O)c12.
What is the InChIKey of 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one?
The InChIKey is BUTFRQACWKYYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-12-7-11-13(8-14(12)21-5-3-20-4-6-21)22(10-1-2-10)18-16(17(11)24)15(23)9-25-18/h7-10,20,23H,1-6H2.
What are the key properties of 9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one?
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one has a molecular weight of 359.43 g/mol, XLogP of 2.81, 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-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one is sourced from PubChem (CID 66718445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).