8-iodo-7-methyl-8H-quinazolin-4-one

C9H7IN2O — CID 71304100

IUPAC8-iodo-7-methyl-8H-quinazolin-4-one
SMILESCC1=CC=C2C(=O)N=CN=C2C1I
InChIInChI=1S/C9H7IN2O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,1H3
InChIKeyMRHSXRNTPSKSJE-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.69
Rot. Bonds

About 8-iodo-7-methyl-8H-quinazolin-4-one

8-iodo-7-methyl-8H-quinazolin-4-one (PubChem CID 71304100) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 8-iodo-7-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name8-iodo-7-methyl-8H-quinazolin-4-one
PubChem CID71304100
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name8-iodo-7-methyl-8H-quinazolin-4-one
SMILESCC1=CC=C2C(=O)N=CN=C2C1I
InChIInChI=1S/C9H7IN2O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,1H3
InChIKeyMRHSXRNTPSKSJE-UHFFFAOYSA-N
XLogP1.69
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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
6-chloro-8H-quinazolin-4-one
CID 91196558
6-iodo-8H-quinazolin-4-one
CID 91423193
6-bromo-8H-quinazolin-4-one
CID 91607100
ethane;5-iodo-6-methyl-5H-isoquinolin-1-one
CID 123370277
6,7-dimethyl-8H-quinazolin-4-one
CID 123737560
8-amino-7-methyl-8H-quinazolin-4-one
CID 71304069
8-Methylidenequinazolin-4-one
CID 71304104
6-iodo-6H-quinazolin-4-one
CID 72207379
2-Amino-6-iodo-8-methylidenequinazolin-4-one
CID 72756568
6-Methylidenequinazolin-4-one
CID 73795355

Frequently Asked Questions

What is the IUPAC name of 8-iodo-7-methyl-8H-quinazolin-4-one?
The IUPAC name of 8-iodo-7-methyl-8H-quinazolin-4-one (CID 71304100) is 8-iodo-7-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 8-iodo-7-methyl-8H-quinazolin-4-one?
The canonical SMILES for 8-iodo-7-methyl-8H-quinazolin-4-one is CC1=CC=C2C(=O)N=CN=C2C1I.
What is the InChIKey of 8-iodo-7-methyl-8H-quinazolin-4-one?
The InChIKey is MRHSXRNTPSKSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4,7H,1H3.
What are the key properties of 8-iodo-7-methyl-8H-quinazolin-4-one?
8-iodo-7-methyl-8H-quinazolin-4-one has a molecular weight of 286.07 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-7-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 71304100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).