7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C20H24N6O3 — CID 126898766

About 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one

7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126898766) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

• Compound Name: 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
• PubChem CID: 126898766
• Molecular Formula: C20H24N6O3
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.19
• IUPAC Name: 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
• SMILES: O=c1c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)cc2ncn1CCO
• InChI: InChI=1S/C20H24N6O3/c27-10-9-26-13-21-17-11-15(3-4-16(17)20(26)28)25-7-5-24(6-8-25)12-18-22-23-19(29-18)14-1-2-14/h3-4,11,13-14,27H,1-2,5-10,12H2
• InChIKey: QQQJJANETVBYLA-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?

The IUPAC name of 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126898766) is 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

What is the SMILES notation for 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?

The canonical SMILES for 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccc(N3CCN(Cc4nnc(C5CC5)o4)CC3)cc2ncn1CCO.

What is the InChIKey of 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?

The InChIKey is QQQJJANETVBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c27-10-9-26-13-21-17-11-15(3-4-16(17)20(26)28)25-7-5-24(6-8-25)12-18-22-23-19(29-18)14-1-2-14/h3-4,11,13-14,27H,1-2,5-10,12H2.

What are the key properties of 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one?

7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 396.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126898766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).