N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C22H28N8O2 — CID 122254609

About N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 122254609) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
• PubChem CID: 122254609
• Molecular Formula: C22H28N8O2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.23
• IUPAC Name: N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
• SMILES: CN(C)c1nc(CNC(=O)CCn2cnc3ccccc3c2=O)nc(N2CCCCC2)n1
• InChI: InChI=1S/C22H28N8O2/c1-28(2)21-25-18(26-22(27-21)29-11-6-3-7-12-29)14-23-19(31)10-13-30-15-24-17-9-5-4-8-16(17)20(30)32/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,23,31)
• InChIKey: BVTQJIVTWGDPHE-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?

The IUPAC name of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 122254609) is N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

What is the SMILES notation for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?

The canonical SMILES for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is CN(C)c1nc(CNC(=O)CCn2cnc3ccccc3c2=O)nc(N2CCCCC2)n1.

What is the InChIKey of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?

The InChIKey is BVTQJIVTWGDPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-28(2)21-25-18(26-22(27-21)29-11-6-3-7-12-29)14-23-19(31)10-13-30-15-24-17-9-5-4-8-16(17)20(30)32/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,23,31).

What are the key properties of N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide?

N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 436.52 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 122254609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).