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

C12H14ClN3O — CID 135711130

IUPAC3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride
SMILESCc1cccc2c1CN1C(=N2)NC(=O)C1C.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-7-4-3-5-10-9(7)6-15-8(2)11(16)14-12(15)13-10;/h3-5,8H,6H2,1-2H3,(H,13,14,16);1H
InChIKeyVYBGHVHAEOSYIU-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.74
Rot. Bonds

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

3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride (PubChem CID 135711130) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride.

Molecular Properties

Compound Name3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride
PubChem CID135711130
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride
SMILESCc1cccc2c1CN1C(=N2)NC(=O)C1C.Cl
InChIInChI=1S/C12H13N3O.ClH/c1-7-4-3-5-10-9(7)6-15-8(2)11(16)14-12(15)13-10;/h3-5,8H,6H2,1-2H3,(H,13,14,16);1H
InChIKeyVYBGHVHAEOSYIU-UHFFFAOYSA-N
XLogP1.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride?
The IUPAC name of 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride (CID 135711130) is 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride.
What is the SMILES notation for 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride?
The canonical SMILES for 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride is Cc1cccc2c1CN1C(=N2)NC(=O)C1C.Cl.
What is the InChIKey of 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride?
The InChIKey is VYBGHVHAEOSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.ClH/c1-7-4-3-5-10-9(7)6-15-8(2)11(16)14-12(15)13-10;/h3-5,8H,6H2,1-2H3,(H,13,14,16);1H.
What are the key properties of 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride?
3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochloride is sourced from PubChem (CID 135711130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).