6-iodo-1-methyl-3,4-dihydroquinazolin-2-one

C9H9IN2O — CID 22413793

IUPAC6-iodo-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2cc(I)ccc21
InChIInChI=1S/C9H9IN2O/c1-12-8-3-2-7(10)4-6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeyOFGMQGHLNSIUHV-UHFFFAOYSA-N
MW288.09 g/mol
LogP1.95
Rot. Bonds

About 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one

6-iodo-1-methyl-3,4-dihydroquinazolin-2-one (PubChem CID 22413793) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-iodo-1-methyl-3,4-dihydroquinazolin-2-one
PubChem CID22413793
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Name6-iodo-1-methyl-3,4-dihydroquinazolin-2-one
SMILESCN1C(=O)NCc2cc(I)ccc21
InChIInChI=1S/C9H9IN2O/c1-12-8-3-2-7(10)4-6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13)
InChIKeyOFGMQGHLNSIUHV-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-iodo-1-methyl-3,4-dihydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one (CID 22413793) is 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one is CN1C(=O)NCc2cc(I)ccc21.
What is the InChIKey of 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one?
The InChIKey is OFGMQGHLNSIUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O/c1-12-8-3-2-7(10)4-6(8)5-11-9(12)13/h2-4H,5H2,1H3,(H,11,13).
What are the key properties of 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one?
6-iodo-1-methyl-3,4-dihydroquinazolin-2-one has a molecular weight of 288.09 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1-methyl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22413793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).