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

C17H14ClN3O — CID 171353913

IUPAC6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1cccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)c1
InChIInChI=1S/C17H14ClN3O/c1-10-3-2-4-11(7-10)12-5-6-14-13(16(12)18)8-21-9-15(22)20-17(21)19-14/h2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyKFEHAOGDIJMAFV-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.25
Rot. Bonds1

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

6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 171353913) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID171353913
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESCc1cccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)c1
InChIInChI=1S/C17H14ClN3O/c1-10-3-2-4-11(7-10)12-5-6-14-13(16(12)18)8-21-9-15(22)20-17(21)19-14/h2-7H,8-9H2,1H3,(H,19,20,22)
InChIKeyKFEHAOGDIJMAFV-UHFFFAOYSA-N
XLogP3.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 171353913) is 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is Cc1cccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)c1.
What is the InChIKey of 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is KFEHAOGDIJMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-10-3-2-4-11(7-10)12-5-6-14-13(16(12)18)8-21-9-15(22)20-17(21)19-14/h2-7H,8-9H2,1H3,(H,19,20,22).
What are the key properties of 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 311.77 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 171353913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).