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

C12H12BrN3O — CID 135718446

IUPAC(3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1c(Br)ccc2c1CN1C(=N2)NC(=O)[C@H]1C
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)/t7-/m1/s1
InChIKeyIASFSCWLFJGXQL-SSDOTTSWSA-N
MW294.15 g/mol
LogP2.08
Rot. Bonds

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

(3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135718446) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name(3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135718446
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name(3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1c(Br)ccc2c1CN1C(=N2)NC(=O)[C@H]1C
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)/t7-/m1/s1
InChIKeyIASFSCWLFJGXQL-SSDOTTSWSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135718446) is (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)[C@H]1C.
What is the InChIKey of (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is IASFSCWLFJGXQL-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
(3R)-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 (3R)-7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135718446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).