[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride

C20H26ClN7O4S — CID 21184036

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride (PubChem CID 21184036) has the molecular formula C20H26ClN7O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride
• PubChem CID: 21184036
• Molecular Formula: C20H26ClN7O4S
• Molecular Weight: 495.99 g/mol
• Exact Mass: 495.15
• IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride
• SMILES: CCCSc1nnc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)o1.Cl
• InChI: InChI=1S/C20H25N7O4S.ClH/c1-4-9-32-20-25-24-17(31-20)18(28)26-5-7-27(8-6-26)19-22-13-11-15(30-3)14(29-2)10-12(13)16(21)23-19;/h10-11H,4-9H2,1-3H3,(H2,21,22,23);1H
• InChIKey: JMZXVHAPIFLKRS-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 132.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.99
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride?

The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride (CID 21184036) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride.

What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride?

The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride is CCCSc1nnc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)o1.Cl.

What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride?

The InChIKey is JMZXVHAPIFLKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O4S.ClH/c1-4-9-32-20-25-24-17(31-20)18(28)26-5-7-27(8-6-26)19-22-13-11-15(30-3)14(29-2)10-12(13)16(21)23-19;/h10-11H,4-9H2,1-3H3,(H2,21,22,23);1H.

What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride?

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride has a molecular weight of 495.99 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 21184036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).