4-iodoquinazolin-7-ol

C8H5IN2O — CID 138468241

IUPAC4-iodoquinazolin-7-ol
SMILESOc1ccc2c(I)ncnc2c1
InChIInChI=1S/C8H5IN2O/c9-8-6-2-1-5(12)3-7(6)10-4-11-8/h1-4,12H
InChIKeyRCSVMBSDRUBZHF-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.94
Rot. Bonds

About 4-iodoquinazolin-7-ol

4-iodoquinazolin-7-ol (PubChem CID 138468241) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is 4-iodoquinazolin-7-ol.

Molecular Properties

Compound Name4-iodoquinazolin-7-ol
PubChem CID138468241
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC Name4-iodoquinazolin-7-ol
SMILESOc1ccc2c(I)ncnc2c1
InChIInChI=1S/C8H5IN2O/c9-8-6-2-1-5(12)3-7(6)10-4-11-8/h1-4,12H
InChIKeyRCSVMBSDRUBZHF-UHFFFAOYSA-N
XLogP1.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodoquinazolin-7-ol 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-Methoxyquinazoline
CID 12213273
3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
2-Aminoquinazoline 24
CID 135402985
3-[(2-Phenylquinazolin-4-yl)amino]phenol
CID 693197
Quinazolin-6-ol
CID 589643
7-Quinazolinol
CID 135703333
3-[[4-(Benzylamino)quinazolin-2-yl]amino]phenol
CID 962695
3-((4-Aminoquinazolin-2-yl)amino)phenol hydrochloride
CID 16896489
4-(1-quinazolin-4-yl-3,6-dihydro-2H-pyridin-4-yl)phenol
CID 25613097
4-[(3-Bromophenyl)amino]quinazolin-7-ol
CID 135402839
3-(Quinazolin-4-ylamino)phenol
CID 693194
4-(Quinazolin-4-ylamino)-phenol
CID 693195

Frequently Asked Questions

What is the IUPAC name of 4-iodoquinazolin-7-ol?
The IUPAC name of 4-iodoquinazolin-7-ol (CID 138468241) is 4-iodoquinazolin-7-ol.
What is the SMILES notation for 4-iodoquinazolin-7-ol?
The canonical SMILES for 4-iodoquinazolin-7-ol is Oc1ccc2c(I)ncnc2c1.
What is the InChIKey of 4-iodoquinazolin-7-ol?
The InChIKey is RCSVMBSDRUBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-8-6-2-1-5(12)3-7(6)10-4-11-8/h1-4,12H.
What are the key properties of 4-iodoquinazolin-7-ol?
4-iodoquinazolin-7-ol has a molecular weight of 272.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodoquinazolin-7-ol is sourced from PubChem (CID 138468241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).