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

C11H10BrN3O — CID 135711131

IUPAC7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCC1C(=O)NC2=Nc3ccc(Br)cc3CN21
InChIInChI=1S/C11H10BrN3O/c1-6-10(16)14-11-13-9-3-2-8(12)4-7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)
InChIKeyNBKJFQOLUSOWFF-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.77
Rot. Bonds

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

7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135711131) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135711131
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCC1C(=O)NC2=Nc3ccc(Br)cc3CN21
InChIInChI=1S/C11H10BrN3O/c1-6-10(16)14-11-13-9-3-2-8(12)4-7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)
InChIKeyNBKJFQOLUSOWFF-UHFFFAOYSA-N
XLogP1.77
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ro-15-2041
CID 135516730
7-Iodo-3,5-dihydroimidazo[2,1-b]quinazolin-2(1H)-one
CID 135583531
Imidazo[2,1-b]quinazolin-2(3H)-one, 1,5-dihydro-
CID 135485711
6-Chloro-7-bromo-1,2,3,5-tetrahydroimidazo[2,1-b]quinazolin-2-one
CID 135823920
(1R)-7-bromo-N-(3-phenylpropyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 145982504
(1S)-7-bromo-N-(3-phenylpropyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 145985987
(1S)-7-bromo-N-(2-phenylethyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 171353749
Ro 15-2041
CID 135718446
N-(4-bromo-2-methylphenyl)-2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetamide
CID 16372832
3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one
CID 20497185
5-methyl-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one;hydrochloride
CID 20497186
5-methyl-3,5-dihydro-1H-imidazo[1,2-a]quinazolin-2-one
CID 20497187

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135711131) is 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is CC1C(=O)NC2=Nc3ccc(Br)cc3CN21.
What is the InChIKey of 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is NBKJFQOLUSOWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-6-10(16)14-11-13-9-3-2-8(12)4-7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16).
What are the key properties of 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 280.12 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135711131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).