2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one

C18H12FNOS — CID 139804633

IUPAC2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one
SMILESCn1c2ccc(F)cc2c(=O)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C18H12FNOS/c1-20-15-7-5-12(19)10-14(15)18(21)13-6-4-11(9-16(13)20)17-3-2-8-22-17/h2-10H,1H3
InChIKeyYNBDUERGCDGYBO-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.56
Rot. Bonds1

About 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one

2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one (PubChem CID 139804633) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one.

Molecular Properties

Compound Name2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one
PubChem CID139804633
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one
SMILESCn1c2ccc(F)cc2c(=O)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C18H12FNOS/c1-20-15-7-5-12(19)10-14(15)18(21)13-6-4-11(9-16(13)20)17-3-2-8-22-17/h2-10H,1H3
InChIKeyYNBDUERGCDGYBO-UHFFFAOYSA-N
XLogP4.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one?
The IUPAC name of 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one (CID 139804633) is 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one.
What is the SMILES notation for 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one?
The canonical SMILES for 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one is Cn1c2ccc(F)cc2c(=O)c2ccc(-c3cccs3)cc21.
What is the InChIKey of 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one?
The InChIKey is YNBDUERGCDGYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNOS/c1-20-15-7-5-12(19)10-14(15)18(21)13-6-4-11(9-16(13)20)17-3-2-8-22-17/h2-10H,1H3.
What are the key properties of 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one?
2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one has a molecular weight of 309.37 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-methyl-6-thiophen-2-ylacridin-9-one is sourced from PubChem (CID 139804633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).