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

C12H13ClN4O — CID 135455582

IUPAC6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCN(C)c1ccc2c(c1Cl)CN1CC(=O)NC1=N2
InChIInChI=1S/C12H13ClN4O/c1-16(2)9-4-3-8-7(11(9)13)5-17-6-10(18)15-12(17)14-8/h3-4H,5-6H2,1-2H3,(H,14,15,18)
InChIKeyHADZQFXGYOKXOK-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.34
Rot. Bonds1

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

6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 135455582) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID135455582
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCN(C)c1ccc2c(c1Cl)CN1CC(=O)NC1=N2
InChIInChI=1S/C12H13ClN4O/c1-16(2)9-4-3-8-7(11(9)13)5-17-6-10(18)15-12(17)14-8/h3-4H,5-6H2,1-2H3,(H,14,15,18)
InChIKeyHADZQFXGYOKXOK-UHFFFAOYSA-N
XLogP1.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 135455582) is 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is CN(C)c1ccc2c(c1Cl)CN1CC(=O)NC1=N2.
What is the InChIKey of 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is HADZQFXGYOKXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-16(2)9-4-3-8-7(11(9)13)5-17-6-10(18)15-12(17)14-8/h3-4H,5-6H2,1-2H3,(H,14,15,18).
What are the key properties of 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 264.72 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 135455582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).