6-iodo-2-propoxy-3-propylquinazolin-4-one

C14H17IN2O2 — CID 11057771

IUPAC6-iodo-2-propoxy-3-propylquinazolin-4-one
SMILESCCCOc1nc2ccc(I)cc2c(=O)n1CCC
InChIInChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFLVBXVXXXMLMOX-UHFFFAOYSA-N
MW372.21 g/mol
LogP3.20
Rot. Bonds5

About 6-iodo-2-propoxy-3-propylquinazolin-4-one

6-iodo-2-propoxy-3-propylquinazolin-4-one (PubChem CID 11057771) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is 6-iodo-2-propoxy-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-iodo-2-propoxy-3-propylquinazolin-4-one
PubChem CID11057771
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC Name6-iodo-2-propoxy-3-propylquinazolin-4-one
SMILESCCCOc1nc2ccc(I)cc2c(=O)n1CCC
InChIInChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFLVBXVXXXMLMOX-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-iodo-2-propoxy-3-propylquinazolin-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 6-iodo-2-propoxy-3-propylquinazolin-4-one?
The IUPAC name of 6-iodo-2-propoxy-3-propylquinazolin-4-one (CID 11057771) is 6-iodo-2-propoxy-3-propylquinazolin-4-one.
What is the SMILES notation for 6-iodo-2-propoxy-3-propylquinazolin-4-one?
The canonical SMILES for 6-iodo-2-propoxy-3-propylquinazolin-4-one is CCCOc1nc2ccc(I)cc2c(=O)n1CCC.
What is the InChIKey of 6-iodo-2-propoxy-3-propylquinazolin-4-one?
The InChIKey is FLVBXVXXXMLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 6-iodo-2-propoxy-3-propylquinazolin-4-one?
6-iodo-2-propoxy-3-propylquinazolin-4-one has a molecular weight of 372.21 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-propoxy-3-propylquinazolin-4-one is sourced from PubChem (CID 11057771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).