1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one

C23H17N3O — CID 110180343

IUPAC1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C23H17N3O/c1-23(17-12-6-3-7-13-17)25-20(16-10-4-2-5-11-16)21-24-19-15-9-8-14-18(19)22(27)26(21)23/h2-15H,1H3
InChIKeyNJOZQWWVQUETQO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.97
Rot. Bonds2

About 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one

1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one (PubChem CID 110180343) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one
PubChem CID110180343
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C23H17N3O/c1-23(17-12-6-3-7-13-17)25-20(16-10-4-2-5-11-16)21-24-19-15-9-8-14-18(19)22(27)26(21)23/h2-15H,1H3
InChIKeyNJOZQWWVQUETQO-UHFFFAOYSA-N
XLogP3.97
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one?
The IUPAC name of 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one (CID 110180343) is 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one?
The canonical SMILES for 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one is CC1(c2ccccc2)N=C(c2ccccc2)c2nc3ccccc3c(=O)n21.
What is the InChIKey of 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one?
The InChIKey is NJOZQWWVQUETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-23(17-12-6-3-7-13-17)25-20(16-10-4-2-5-11-16)21-24-19-15-9-8-14-18(19)22(27)26(21)23/h2-15H,1H3.
What are the key properties of 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one?
1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one has a molecular weight of 351.41 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diphenylimidazo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 110180343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).