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

C12H12BrN3O2 — CID 135556896

IUPAC7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOCc1c(Br)ccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C12H12BrN3O2/c1-18-6-8-7-4-16-5-11(17)15-12(16)14-10(7)3-2-9(8)13/h2-3H,4-6H2,1H3,(H,14,15,17)
InChIKeyFAIRCBNERXDZBI-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.53
Rot. Bonds2

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

7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135556896) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135556896
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCOCc1c(Br)ccc2c1CN1CC(=O)NC1=N2
InChIInChI=1S/C12H12BrN3O2/c1-18-6-8-7-4-16-5-11(17)15-12(16)14-10(7)3-2-9(8)13/h2-3H,4-6H2,1H3,(H,14,15,17)
InChIKeyFAIRCBNERXDZBI-UHFFFAOYSA-N
XLogP1.53
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135556896) is 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is COCc1c(Br)ccc2c1CN1CC(=O)NC1=N2.
What is the InChIKey of 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is FAIRCBNERXDZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-18-6-8-7-4-16-5-11(17)15-12(16)14-10(7)3-2-9(8)13/h2-3H,4-6H2,1H3,(H,14,15,17).
What are the key properties of 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 310.15 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(methoxymethyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135556896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).