8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one

C24H15FN2O4S — CID 4963496

IUPAC8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one
SMILESCC(=O)c1c(Oc2ncnc3scc(-c4ccc(F)cc4)c23)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C24H15FN2O4S/c1-12-9-19(29)31-22-16(12)7-8-18(20(22)13(2)28)30-23-21-17(10-32-24(21)27-11-26-23)14-3-5-15(25)6-4-14/h3-11H,1-2H3
InChIKeyLGOUUDURLSYCGR-UHFFFAOYSA-N
MW446.46 g/mol
LogP5.91
Rot. Bonds4

About 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one

8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one (PubChem CID 4963496) has the molecular formula C24H15FN2O4S and a molecular weight of 446.46 g/mol. Its IUPAC name is 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one
PubChem CID4963496
Molecular FormulaC24H15FN2O4S
Molecular Weight446.46 g/mol
Exact Mass446.07
IUPAC Name8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one
SMILESCC(=O)c1c(Oc2ncnc3scc(-c4ccc(F)cc4)c23)ccc2c(C)cc(=O)oc12
InChIInChI=1S/C24H15FN2O4S/c1-12-9-19(29)31-22-16(12)7-8-18(20(22)13(2)28)30-23-21-17(10-32-24(21)27-11-26-23)14-3-5-15(25)6-4-14/h3-11H,1-2H3
InChIKeyLGOUUDURLSYCGR-UHFFFAOYSA-N
XLogP5.91
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethylphenoxy)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 3487676
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
CID 68534883
5-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-2-methylthieno[2,3-e][1,3]benzothiazole
CID 4987878
5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251132
(8-acetyl-4-methyl-2-oxochromen-7-yl)oxy thiohypofluorite
CID 155149543
4-(1,3-benzodioxol-5-yloxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 8894236
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2483989
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
N-butan-2-yl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 4005509
4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde
CID 4737881
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(furan-2-ylmethyl)acetamide
CID 2085084

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one (CID 4963496) is 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one is CC(=O)c1c(Oc2ncnc3scc(-c4ccc(F)cc4)c23)ccc2c(C)cc(=O)oc12.
What is the InChIKey of 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one?
The InChIKey is LGOUUDURLSYCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O4S/c1-12-9-19(29)31-22-16(12)7-8-18(20(22)13(2)28)30-23-21-17(10-32-24(21)27-11-26-23)14-3-5-15(25)6-4-14/h3-11H,1-2H3.
What are the key properties of 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one?
8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one has a molecular weight of 446.46 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-7-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 4963496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).