7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C10H8IN3O — CID 135583531

IUPAC7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3cc(I)ccc3N=C2N1
InChIInChI=1S/C10H8IN3O/c11-7-1-2-8-6(3-7)4-14-5-9(15)13-10(14)12-8/h1-3H,4-5H2,(H,12,13,15)
InChIKeyJJEAICNWSUWOMH-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.22
Rot. Bonds

About 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135583531) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135583531
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3cc(I)ccc3N=C2N1
InChIInChI=1S/C10H8IN3O/c11-7-1-2-8-6(3-7)4-14-5-9(15)13-10(14)12-8/h1-3H,4-5H2,(H,12,13,15)
InChIKeyJJEAICNWSUWOMH-UHFFFAOYSA-N
XLogP1.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Quazinone
CID 135418296
1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one
CID 135410273
6-Methyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-2-one hydrochloride
CID 135492314
BL-3459 free base
CID 135449336
DN-9693
CID 135418419
8-methyl-7-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002151
Imidazo[2,1-b]quinazolin-2(3H)-one, 1,5-dihydro-
CID 135485711
7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135621703
7-pyrrolidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002127
7-(4-methylpiperidin-1-yl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002124
7-(2-methylpiperidin-1-yl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002126
8-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002132

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135583531) is 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3cc(I)ccc3N=C2N1.
What is the InChIKey of 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is JJEAICNWSUWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c11-7-1-2-8-6(3-7)4-14-5-9(15)13-10(14)12-8/h1-3H,4-5H2,(H,12,13,15).
What are the key properties of 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 313.10 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135583531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).