6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one

C17H12N4O2 — CID 162352958

IUPAC6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
SMILESCC(=O)c1cn2cc(-c3ccc4nc[nH]c(=O)c4c3)ccc2n1
InChIInChI=1S/C17H12N4O2/c1-10(22)15-8-21-7-12(3-5-16(21)20-15)11-2-4-14-13(6-11)17(23)19-9-18-14/h2-9H,1H3,(H,18,19,23)
InChIKeyVDUYGMLFHFCGJQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.44
Rot. Bonds2

About 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one

6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one (PubChem CID 162352958) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
PubChem CID162352958
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one
SMILESCC(=O)c1cn2cc(-c3ccc4nc[nH]c(=O)c4c3)ccc2n1
InChIInChI=1S/C17H12N4O2/c1-10(22)15-8-21-7-12(3-5-16(21)20-15)11-2-4-14-13(6-11)17(23)19-9-18-14/h2-9H,1H3,(H,18,19,23)
InChIKeyVDUYGMLFHFCGJQ-UHFFFAOYSA-N
XLogP2.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one (CID 162352958) is 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one is CC(=O)c1cn2cc(-c3ccc4nc[nH]c(=O)c4c3)ccc2n1.
What is the InChIKey of 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
The InChIKey is VDUYGMLFHFCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-10(22)15-8-21-7-12(3-5-16(21)20-15)11-2-4-14-13(6-11)17(23)19-9-18-14/h2-9H,1H3,(H,18,19,23).
What are the key properties of 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one?
6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetylimidazo[1,2-a]pyridin-6-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 162352958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).