(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C19H24N5O+ — CID 7601684

About (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 7601684) has the molecular formula C19H24N5O+ and a molecular weight of 338.44 g/mol. Its IUPAC name is (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

• Compound Name: (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
• PubChem CID: 7601684
• Molecular Formula: C19H24N5O+
• Molecular Weight: 338.44 g/mol
• Exact Mass: 338.20
• IUPAC Name: (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
• SMILES: Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](C)C2
• InChI: InChI=1S/C19H23N5O/c1-13-11-15-18(16(25)12-13)14(2)21-19(22-15)24-9-7-23(8-10-24)17-5-3-4-6-20-17/h3-6,13H,7-12H2,1-2H3/p+1/t13-/m1/s1
• InChIKey: FFZFZQQFIGXFGJ-CYBMUJFWSA-O
• XLogP: 1.69
• TPSA: 63.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.44
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?

The IUPAC name of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 7601684) is (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

What is the SMILES notation for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?

The canonical SMILES for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](C)C2.

What is the InChIKey of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?

The InChIKey is FFZFZQQFIGXFGJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H23N5O/c1-13-11-15-18(16(25)12-13)14(2)21-19(22-15)24-9-7-23(8-10-24)17-5-3-4-6-20-17/h3-6,13H,7-12H2,1-2H3/p+1/t13-/m1/s1.

What are the key properties of (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?

(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 338.44 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 7601684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).