2,5-dichloro-8-iodo-3-methylquinazolin-4-one

C9H5Cl2IN2O — CID 170754008

IUPAC2,5-dichloro-8-iodo-3-methylquinazolin-4-one
SMILESCn1c(Cl)nc2c(I)ccc(Cl)c2c1=O
InChIInChI=1S/C9H5Cl2IN2O/c1-14-8(15)6-4(10)2-3-5(12)7(6)13-9(14)11/h2-3H,1H3
InChIKeyMUYPGDNMABOLSM-UHFFFAOYSA-N
MW354.96 g/mol
LogP2.84
Rot. Bonds

About 2,5-dichloro-8-iodo-3-methylquinazolin-4-one

2,5-dichloro-8-iodo-3-methylquinazolin-4-one (PubChem CID 170754008) has the molecular formula C9H5Cl2IN2O and a molecular weight of 354.96 g/mol. Its IUPAC name is 2,5-dichloro-8-iodo-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2,5-dichloro-8-iodo-3-methylquinazolin-4-one
PubChem CID170754008
Molecular FormulaC9H5Cl2IN2O
Molecular Weight354.96 g/mol
Exact Mass353.88
IUPAC Name2,5-dichloro-8-iodo-3-methylquinazolin-4-one
SMILESCn1c(Cl)nc2c(I)ccc(Cl)c2c1=O
InChIInChI=1S/C9H5Cl2IN2O/c1-14-8(15)6-4(10)2-3-5(12)7(6)13-9(14)11/h2-3H,1H3
InChIKeyMUYPGDNMABOLSM-UHFFFAOYSA-N
XLogP2.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.96
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
CID 114693017
2-chloro-5-iodo-3-methylpyrimidin-4-one
CID 135316029
2,7-dichloro-3,5-dimethylquinazolin-4-one
CID 114693280
5-chloro-2,3-dimethylpyrido[2,3-d]pyrimidin-4-one
CID 83820734
2-chloro-1,9-dimethylpurin-6-one
CID 127263212
8-acetyl-5-chloro-3-methyl-2-morpholin-4-ylquinazolin-4-one
CID 170753431
2-chloro-3-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 138958438
3-tert-butyl-5-chloro-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90879965
2,3-ditert-butyl-5-chloro-8-methylquinazolin-4-one
CID 90250811
8-bromo-6-(2,6-dichloro-3-methylphenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
CID 166160134
3-iodo-1-methylquinolin-2-one
CID 15733001
5,7-dichloro-8-hydroxy-3-methyl-2-(methylaminomethyl)quinazolin-4-one
CID 11516198

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-8-iodo-3-methylquinazolin-4-one?
The IUPAC name of 2,5-dichloro-8-iodo-3-methylquinazolin-4-one (CID 170754008) is 2,5-dichloro-8-iodo-3-methylquinazolin-4-one.
What is the SMILES notation for 2,5-dichloro-8-iodo-3-methylquinazolin-4-one?
The canonical SMILES for 2,5-dichloro-8-iodo-3-methylquinazolin-4-one is Cn1c(Cl)nc2c(I)ccc(Cl)c2c1=O.
What is the InChIKey of 2,5-dichloro-8-iodo-3-methylquinazolin-4-one?
The InChIKey is MUYPGDNMABOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2IN2O/c1-14-8(15)6-4(10)2-3-5(12)7(6)13-9(14)11/h2-3H,1H3.
What are the key properties of 2,5-dichloro-8-iodo-3-methylquinazolin-4-one?
2,5-dichloro-8-iodo-3-methylquinazolin-4-one has a molecular weight of 354.96 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-8-iodo-3-methylquinazolin-4-one is sourced from PubChem (CID 170754008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).