7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C12H12BrN3O — CID 135516730

IUPAC7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C12H12BrN3O/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13/h3-4,7H,5H2,1-2H3,(H,14,15,17)
InChIKeyIASFSCWLFJGXQL-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.08
Rot. Bonds

About 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135516730) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135516730
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C12H12BrN3O/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13/h3-4,7H,5H2,1-2H3,(H,14,15,17)
InChIKeyIASFSCWLFJGXQL-UHFFFAOYSA-N
XLogP2.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one with MolForge

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Related Compounds

6-Methyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-2-one hydrochloride
CID 135492314
BL-3459 free base
CID 135449336
Ro 15-2041
CID 135718446
7-bromo-6-methyl-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one
CID 20497190
7-bromo-6-methyl-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one;hydrochloride
CID 20497219
2-(2-amino-6-bromo-4H-quinazolin-3-yl)acetamide
CID 69414030
6-bromo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135465893
3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135474615
7-Bromo-6-methoxymethyl-1,2,3,5-tetrahydroimidazo[2,1-b]-quinazolin-2-one
CID 135556896
7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide
CID 135711129
3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride
CID 135711130
7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 135711131

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135516730) is 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C.
What is the InChIKey of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is IASFSCWLFJGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13/h3-4,7H,5H2,1-2H3,(H,14,15,17).
What are the key properties of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 294.15 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135516730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).