3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one

C15H11IN2O — CID 163456239

IUPAC3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2cc(I)ccn12
InChIInChI=1S/C15H11IN2O/c16-13-6-7-18-14(9-13)17-10-12(15(18)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyBKSZQJMRKDLBHN-UHFFFAOYSA-N
MW362.17 g/mol
LogP2.89
Rot. Bonds2

About 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one

3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one (PubChem CID 163456239) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one
PubChem CID163456239
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(Cc2ccccc2)cnc2cc(I)ccn12
InChIInChI=1S/C15H11IN2O/c16-13-6-7-18-14(9-13)17-10-12(15(18)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyBKSZQJMRKDLBHN-UHFFFAOYSA-N
XLogP2.89
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one (CID 163456239) is 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one is O=c1c(Cc2ccccc2)cnc2cc(I)ccn12.
What is the InChIKey of 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BKSZQJMRKDLBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-13-6-7-18-14(9-13)17-10-12(15(18)19)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one?
3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 362.17 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-iodopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163456239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).