9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one

C15H11F2NO2S — CID 58092837

IUPAC9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
SMILESCc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C15H11F2NO2S/c1-6-13(19)12-14(20)8-4-9(16)10(17)5-11(8)18(7-2-3-7)15(12)21-6/h4-5,7,19H,2-3H2,1H3
InChIKeySDQCYQJMVXENJO-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.84
Rot. Bonds1

About 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one

9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one (PubChem CID 58092837) has the molecular formula C15H11F2NO2S and a molecular weight of 307.32 g/mol. Its IUPAC name is 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one.

Molecular Properties

Compound Name9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
PubChem CID58092837
Molecular FormulaC15H11F2NO2S
Molecular Weight307.32 g/mol
Exact Mass307.05
IUPAC Name9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
SMILESCc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C15H11F2NO2S/c1-6-13(19)12-14(20)8-4-9(16)10(17)5-11(8)18(7-2-3-7)15(12)21-6/h4-5,7,19H,2-3H2,1H3
InChIKeySDQCYQJMVXENJO-UHFFFAOYSA-N
XLogP3.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
CID 19365026
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
ethyl 1-cyclopropyl-6,7-difluoro-2-(methylamino)-4-oxoquinoline-3-carboxylate
CID 139810521
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
9-cyclopropyl-6-fluoro-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426798
7-[4-(2-amino-3-hydroxypropyl)phenyl]-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426840
9-cyclopropyl-6-fluoro-7-(2-phenylacetyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426901
N-[1-(9-cyclopropyl-6-fluoro-3,4-dioxo-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]-2,2,2-trifluoro-N-methylacetamide
CID 10027065
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
9-cyclopropyl-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
9-cyclopropyl-6-fluoro-7-(4-methoxyiminopiperidin-1-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11589452

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one?
The IUPAC name of 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one (CID 58092837) is 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one.
What is the SMILES notation for 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one?
The canonical SMILES for 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one is Cc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one?
The InChIKey is SDQCYQJMVXENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2S/c1-6-13(19)12-14(20)8-4-9(16)10(17)5-11(8)18(7-2-3-7)15(12)21-6/h4-5,7,19H,2-3H2,1H3.
What are the key properties of 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one?
9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one has a molecular weight of 307.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one is sourced from PubChem (CID 58092837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).