2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one

C16H12FIN2O — CID 1290191

IUPAC2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
SMILESCCc1nc2ccc(I)cc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C16H12FIN2O/c1-2-15-19-13-8-7-10(18)9-11(13)16(21)20(15)14-6-4-3-5-12(14)17/h3-9H,2H2,1H3
InChIKeyVVNMRIDSRYTBJU-UHFFFAOYSA-N
MW394.19 g/mol
LogP3.69
Rot. Bonds2

About 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one

2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one (PubChem CID 1290191) has the molecular formula C16H12FIN2O and a molecular weight of 394.19 g/mol. Its IUPAC name is 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
PubChem CID1290191
Molecular FormulaC16H12FIN2O
Molecular Weight394.19 g/mol
Exact Mass394.00
IUPAC Name2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one
SMILESCCc1nc2ccc(I)cc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C16H12FIN2O/c1-2-15-19-13-8-7-10(18)9-11(13)16(21)20(15)14-6-4-3-5-12(14)17/h3-9H,2H2,1H3
InChIKeyVVNMRIDSRYTBJU-UHFFFAOYSA-N
XLogP3.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.19
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one?
The IUPAC name of 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one (CID 1290191) is 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one?
The canonical SMILES for 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one is CCc1nc2ccc(I)cc2c(=O)n1-c1ccccc1F.
What is the InChIKey of 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one?
The InChIKey is VVNMRIDSRYTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN2O/c1-2-15-19-13-8-7-10(18)9-11(13)16(21)20(15)14-6-4-3-5-12(14)17/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one?
2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one has a molecular weight of 394.19 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-fluorophenyl)-6-iodoquinazolin-4-one is sourced from PubChem (CID 1290191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).