6-iodo-8H-quinazolin-4-one

C8H5IN2O — CID 91423193

IUPAC6-iodo-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(I)C=C12
InChIInChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyMJEUPLMVDBKZCZ-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.64
Rot. Bonds

About 6-iodo-8H-quinazolin-4-one

6-iodo-8H-quinazolin-4-one (PubChem CID 91423193) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is 6-iodo-8H-quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-8H-quinazolin-4-one
PubChem CID91423193
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC Name6-iodo-8H-quinazolin-4-one
SMILESO=C1N=CN=C2CC=C(I)C=C12
InChIInChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2
InChIKeyMJEUPLMVDBKZCZ-UHFFFAOYSA-N
XLogP1.64
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
8-fluoro-8H-quinazolin-4-one
CID 76845720
Quinazoline-4,8-dione
CID 67262045
Pyrido[4,3-g]quinazoline-4,9-dione
CID 68415096
6-chloro-8H-quinazolin-4-one
CID 91196558
6-bromo-8H-quinazolin-4-one
CID 91607100
6,7-dimethyl-8H-quinazolin-4-one
CID 123737560
5-Iodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320841
6,13-Diiodo-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 141320844
Cyclopenta[g]quinazolin-4-one
CID 160715150
6H-quinazolin-4-one
CID 165178648
8-bromo-8H-quinazolin-4-one
CID 71304081

Frequently Asked Questions

What is the IUPAC name of 6-iodo-8H-quinazolin-4-one?
The IUPAC name of 6-iodo-8H-quinazolin-4-one (CID 91423193) is 6-iodo-8H-quinazolin-4-one.
What is the SMILES notation for 6-iodo-8H-quinazolin-4-one?
The canonical SMILES for 6-iodo-8H-quinazolin-4-one is O=C1N=CN=C2CC=C(I)C=C12.
What is the InChIKey of 6-iodo-8H-quinazolin-4-one?
The InChIKey is MJEUPLMVDBKZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1,3-4H,2H2.
What are the key properties of 6-iodo-8H-quinazolin-4-one?
6-iodo-8H-quinazolin-4-one has a molecular weight of 272.05 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-8H-quinazolin-4-one is sourced from PubChem (CID 91423193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).