9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C10H8IN3O — CID 135509676

IUPAC9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccc(I)cc2c2n1CCN2
InChIInChI=1S/C10H8IN3O/c11-6-1-2-8-7(5-6)9-12-3-4-14(9)10(15)13-8/h1-2,5,12H,3-4H2
InChIKeyROUVFTFUSQXYJW-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.43
Rot. Bonds

About 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135509676) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135509676
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccc(I)cc2c2n1CCN2
InChIInChI=1S/C10H8IN3O/c11-6-1-2-8-7(5-6)9-12-3-4-14(9)10(15)13-8/h1-2,5,12H,3-4H2
InChIKeyROUVFTFUSQXYJW-UHFFFAOYSA-N
XLogP1.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135509676) is 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccc(I)cc2c2n1CCN2.
What is the InChIKey of 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is ROUVFTFUSQXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c11-6-1-2-8-7(5-6)9-12-3-4-14(9)10(15)13-8/h1-2,5,12H,3-4H2.
What are the key properties of 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 313.10 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135509676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).