2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide

C30H33N5O — CID 90928861

About 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide

2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 90928861) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 90928861
• Molecular Formula: C30H33N5O
• Molecular Weight: 479.63 g/mol
• Exact Mass: 479.27
• IUPAC Name: 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: NC(=O)Cc1cccc(C2CCN(CCCNc3nc(-c4ccccc4)c4ccccc4n3)CC2)c1
• InChI: InChI=1S/C30H33N5O/c31-28(36)21-22-8-6-11-25(20-22)23-14-18-35(19-15-23)17-7-16-32-30-33-27-13-5-4-12-26(27)29(34-30)24-9-2-1-3-10-24/h1-6,8-13,20,23H,7,14-19,21H2,(H2,31,36)(H,32,33,34)
• InChIKey: QMBDXUMIJJSPND-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.63
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide (CID 90928861) is 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide is NC(=O)Cc1cccc(C2CCN(CCCNc3nc(-c4ccccc4)c4ccccc4n3)CC2)c1.

What is the InChIKey of 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is QMBDXUMIJJSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c31-28(36)21-22-8-6-11-25(20-22)23-14-18-35(19-15-23)17-7-16-32-30-33-27-13-5-4-12-26(27)29(34-30)24-9-2-1-3-10-24/h1-6,8-13,20,23H,7,14-19,21H2,(H2,31,36)(H,32,33,34).

What are the key properties of 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide?

2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 479.63 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 90928861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).