7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one

C9H4F3IN2O — CID 136757886

IUPAC7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2cc(I)ccc12
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)8-14-6-3-4(13)1-2-5(6)7(16)15-8/h1-3H,(H,14,15,16)
InChIKeyQMNDRAZVUYOFJV-UHFFFAOYSA-N
MW340.04 g/mol
LogP2.55
Rot. Bonds

About 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one

7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 136757886) has the molecular formula C9H4F3IN2O and a molecular weight of 340.04 g/mol. Its IUPAC name is 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID136757886
Molecular FormulaC9H4F3IN2O
Molecular Weight340.04 g/mol
Exact Mass339.93
IUPAC Name7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C(F)(F)F)nc2cc(I)ccc12
InChIInChI=1S/C9H4F3IN2O/c10-9(11,12)8-14-6-3-4(13)1-2-5(6)7(16)15-8/h1-3H,(H,14,15,16)
InChIKeyQMNDRAZVUYOFJV-UHFFFAOYSA-N
XLogP2.55
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-iodo-2-(trifluoromethyl)-3H-quinazolin-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

Related Compounds

7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
6,7-dimethoxy-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 135742363
7-bromo-6-chloro-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 137178984
6-methyl-2-(trifluoromethyl)-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 177168172
6-methyl-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137176452
6-amino-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137286712
azanium 6-chloro-2-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135624385
2-(methylaminomethyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900817
6,8-dibromo-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154222644
2-(2,2-dimethylpropyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 137233002
N-[4-oxo-2-(trifluoromethyl)-3H-quinazolin-6-yl]cyclobutanecarboxamide
CID 166390930
6-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)-3H-quinazolin-4-one
CID 154400368

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one (CID 136757886) is 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]c(C(F)(F)F)nc2cc(I)ccc12.
What is the InChIKey of 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is QMNDRAZVUYOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2O/c10-9(11,12)8-14-6-3-4(13)1-2-5(6)7(16)15-8/h1-3H,(H,14,15,16).
What are the key properties of 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one?
7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 340.04 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136757886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).