8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one

C20H16FN3OS — CID 163325141

IUPAC8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cccc(F)c2sc2c(N3CCNCC3)nc3ccccc3c12
InChIInChI=1S/C20H16FN3OS/c21-14-6-3-5-13-17(25)16-12-4-1-2-7-15(12)23-20(19(16)26-18(13)14)24-10-8-22-9-11-24/h1-7,22H,8-11H2
InChIKeyGCODEGSGNNKECE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.51
Rot. Bonds1

About 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one

8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one (PubChem CID 163325141) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one.

Molecular Properties

Compound Name8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
PubChem CID163325141
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
SMILESO=c1c2cccc(F)c2sc2c(N3CCNCC3)nc3ccccc3c12
InChIInChI=1S/C20H16FN3OS/c21-14-6-3-5-13-17(25)16-12-4-1-2-7-15(12)23-20(19(16)26-18(13)14)24-10-8-22-9-11-24/h1-7,22H,8-11H2
InChIKeyGCODEGSGNNKECE-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The IUPAC name of 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one (CID 163325141) is 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one.
What is the SMILES notation for 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The canonical SMILES for 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one is O=c1c2cccc(F)c2sc2c(N3CCNCC3)nc3ccccc3c12.
What is the InChIKey of 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
The InChIKey is GCODEGSGNNKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-14-6-3-5-13-17(25)16-12-4-1-2-7-15(12)23-20(19(16)26-18(13)14)24-10-8-22-9-11-24/h1-7,22H,8-11H2.
What are the key properties of 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one?
8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one has a molecular weight of 365.43 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one is sourced from PubChem (CID 163325141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).