1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

C17H14ClN3O — CID 761910

IUPAC1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1CCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2
InChIKeyDDFYKMPYWMVKDH-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.07
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one

1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (PubChem CID 761910) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
PubChem CID761910
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1CCN2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2
InChIKeyDDFYKMPYWMVKDH-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one (CID 761910) is 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is O=c1c2ccccc2nc2n1CCN2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
The InChIKey is DDFYKMPYWMVKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-7-5-12(6-8-13)11-20-9-10-21-16(22)14-3-1-2-4-15(14)19-17(20)21/h1-8H,9-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one?
1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one has a molecular weight of 311.77 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2,3-dihydroimidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 761910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).