9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile

C15H8F2N2O2S — CID 19365026

IUPAC9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C15H8F2N2O2S/c16-8-3-7-10(4-9(8)17)19(6-1-2-6)15-12(13(7)20)14(21)11(5-18)22-15/h3-4,6,21H,1-2H2
InChIKeyFUWCFWHBCZERNS-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.41
Rot. Bonds1

About 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile

9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 19365026) has the molecular formula C15H8F2N2O2S and a molecular weight of 318.30 g/mol. Its IUPAC name is 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID19365026
Molecular FormulaC15H8F2N2O2S
Molecular Weight318.30 g/mol
Exact Mass318.03
IUPAC Name9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1
InChIInChI=1S/C15H8F2N2O2S/c16-8-3-7-10(4-9(8)17)19(6-1-2-6)15-12(13(7)20)14(21)11(5-18)22-15/h3-4,6,21H,1-2H2
InChIKeyFUWCFWHBCZERNS-UHFFFAOYSA-N
XLogP3.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

9-cyclopropyl-6,7-difluoro-3-hydroxy-2-methylthieno[2,3-b]quinolin-4-one
CID 58092837
9-cyclopropyl-6,7-difluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 14668979
1-(2-cyano-9-cyclopropyl-6-fluoro-3-hydroxy-8-methoxy-4-oxothieno[2,3-b]quinolin-7-yl)piperidine-3-carboxamide
CID 46939997
9-cyclopropyl-7-[(3R)-3-[2-(ethylamino)propan-2-yl]pyrrolidin-1-yl]-6-fluoro-3-hydroxy-8-methoxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile
CID 46939998
9-cyclopropyl-8-(difluoromethoxy)-3-hydroxy-4-oxo-7-piperazin-1-ylthieno[2,3-b]quinoline-2-carbonitrile
CID 46941230
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
ethyl 1-cyclopropyl-6,7-difluoro-2-(methylamino)-4-oxoquinoline-3-carboxylate
CID 139810521
9-cyclopropyl-6-fluoro-7-(2-methoxy-4-methylphenyl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 58426801
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-7-(diazepin-1-yl)-6-fluoro-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 19981974
9-cyclopropyl-6-fluoro-7-(1H-indol-5-yl)-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
CID 11531250

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile (CID 19365026) is 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile is N#Cc1sc2c(c1O)c(=O)c1cc(F)c(F)cc1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is FUWCFWHBCZERNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O2S/c16-8-3-7-10(4-9(8)17)19(6-1-2-6)15-12(13(7)20)14(21)11(5-18)22-15/h3-4,6,21H,1-2H2.
What are the key properties of 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile?
9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 318.30 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6,7-difluoro-3-hydroxy-4-oxothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 19365026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).