1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide

C11H12IN3 — CID 663354

IUPAC1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide
SMILESCN1CC[n+]2cnc3ccccc3c21.[I-]
InChIInChI=1S/C11H12N3.HI/c1-13-6-7-14-8-12-10-5-3-2-4-9(10)11(13)14;/h2-5,8H,6-7H2,1H3;1H/q+1;/p-1
InChIKeyKZWFURVTGVQJEK-UHFFFAOYSA-M
MW313.14 g/mol
LogP-2.02
Rot. Bonds

About 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide

1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide (PubChem CID 663354) has the molecular formula C11H12IN3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide.

Molecular Properties

Compound Name1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide
PubChem CID663354
Molecular FormulaC11H12IN3
Molecular Weight313.14 g/mol
Exact Mass313.01
IUPAC Name1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide
SMILESCN1CC[n+]2cnc3ccccc3c21.[I-]
InChIInChI=1S/C11H12N3.HI/c1-13-6-7-14-8-12-10-5-3-2-4-9(10)11(13)14;/h2-5,8H,6-7H2,1H3;1H/q+1;/p-1
InChIKeyKZWFURVTGVQJEK-UHFFFAOYSA-M
XLogP-2.02
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide 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 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide?
The IUPAC name of 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide (CID 663354) is 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide.
What is the SMILES notation for 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide?
The canonical SMILES for 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide is CN1CC[n+]2cnc3ccccc3c21.[I-].
What is the InChIKey of 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide?
The InChIKey is KZWFURVTGVQJEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N3.HI/c1-13-6-7-14-8-12-10-5-3-2-4-9(10)11(13)14;/h2-5,8H,6-7H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide?
1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide has a molecular weight of 313.14 g/mol, XLogP of -2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-4-ium iodide is sourced from PubChem (CID 663354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).