N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine

C11H9FN2O2S — CID 143249230

IUPACN-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine
SMILESO=S1(=O)CCc2c1ccc1nccc(NF)c21
InChIInChI=1S/C11H9FN2O2S/c12-14-9-3-5-13-8-1-2-10-7(11(8)9)4-6-17(10,15)16/h1-3,5H,4,6H2,(H,13,14)
InChIKeyYAPVRQXBAQOPBP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.86
Rot. Bonds1

About N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine

N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine (PubChem CID 143249230) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine.

Molecular Properties

Compound NameN-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine
PubChem CID143249230
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC NameN-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine
SMILESO=S1(=O)CCc2c1ccc1nccc(NF)c21
InChIInChI=1S/C11H9FN2O2S/c12-14-9-3-5-13-8-1-2-10-7(11(8)9)4-6-17(10,15)16/h1-3,5H,4,6H2,(H,13,14)
InChIKeyYAPVRQXBAQOPBP-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The IUPAC name of N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine (CID 143249230) is N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine.
What is the SMILES notation for N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The canonical SMILES for N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine is O=S1(=O)CCc2c1ccc1nccc(NF)c21.
What is the InChIKey of N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The InChIKey is YAPVRQXBAQOPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c12-14-9-3-5-13-8-1-2-10-7(11(8)9)4-6-17(10,15)16/h1-3,5H,4,6H2,(H,13,14).
What are the key properties of N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine has a molecular weight of 252.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3,3-dioxo-1,2-dihydrothieno[3,2-f]quinolin-9-amine is sourced from PubChem (CID 143249230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).