3-(4-iodophenyl)-8-methylquinazolin-4-one

C15H11IN2O — CID 155538395

IUPAC3-(4-iodophenyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(-c3ccc(I)cc3)cnc12
InChIInChI=1S/C15H11IN2O/c1-10-3-2-4-13-14(10)17-9-18(15(13)19)12-7-5-11(16)6-8-12/h2-9H,1H3
InChIKeyLSGLCJQRXIESLH-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.30
Rot. Bonds1

About 3-(4-iodophenyl)-8-methylquinazolin-4-one

3-(4-iodophenyl)-8-methylquinazolin-4-one (PubChem CID 155538395) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-(4-iodophenyl)-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-iodophenyl)-8-methylquinazolin-4-one
PubChem CID155538395
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name3-(4-iodophenyl)-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(-c3ccc(I)cc3)cnc12
InChIInChI=1S/C15H11IN2O/c1-10-3-2-4-13-14(10)17-9-18(15(13)19)12-7-5-11(16)6-8-12/h2-9H,1H3
InChIKeyLSGLCJQRXIESLH-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-8-methylquinazolin-4-one?
The IUPAC name of 3-(4-iodophenyl)-8-methylquinazolin-4-one (CID 155538395) is 3-(4-iodophenyl)-8-methylquinazolin-4-one.
What is the SMILES notation for 3-(4-iodophenyl)-8-methylquinazolin-4-one?
The canonical SMILES for 3-(4-iodophenyl)-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(-c3ccc(I)cc3)cnc12.
What is the InChIKey of 3-(4-iodophenyl)-8-methylquinazolin-4-one?
The InChIKey is LSGLCJQRXIESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c1-10-3-2-4-13-14(10)17-9-18(15(13)19)12-7-5-11(16)6-8-12/h2-9H,1H3.
What are the key properties of 3-(4-iodophenyl)-8-methylquinazolin-4-one?
3-(4-iodophenyl)-8-methylquinazolin-4-one has a molecular weight of 362.17 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-8-methylquinazolin-4-one is sourced from PubChem (CID 155538395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).