N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide

C34H46N8O4 — CID 58770754

About N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide

N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide (PubChem CID 58770754) has the molecular formula C34H46N8O4 and a molecular weight of 630.79 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
• PubChem CID: 58770754
• Molecular Formula: C34H46N8O4
• Molecular Weight: 630.79 g/mol
• Exact Mass: 630.36
• IUPAC Name: N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCN(CCCOc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1
• InChI: InChI=1S/C34H46N8O4/c1-38(2)34(44)42-17-15-39(16-18-42)12-3-21-46-29-8-9-30-31(24-29)35-25-36-32(30)26-10-13-41(14-11-26)33(43)37-27-4-6-28(7-5-27)40-19-22-45-23-20-40/h4-9,24-26H,3,10-23H2,1-2H3,(H,37,43)
• InChIKey: QWCZCPBMPRKPDO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 106.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.79
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide?

The IUPAC name of N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide (CID 58770754) is N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide.

What is the SMILES notation for N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide?

The canonical SMILES for N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCCOc2ccc3c(C4CCN(C(=O)Nc5ccc(N6CCOCC6)cc5)CC4)ncnc3c2)CC1.

What is the InChIKey of N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide?

The InChIKey is QWCZCPBMPRKPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N8O4/c1-38(2)34(44)42-17-15-39(16-18-42)12-3-21-46-29-8-9-30-31(24-29)35-25-36-32(30)26-10-13-41(14-11-26)33(43)37-27-4-6-28(7-5-27)40-19-22-45-23-20-40/h4-9,24-26H,3,10-23H2,1-2H3,(H,37,43).

What are the key properties of N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide?

N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide has a molecular weight of 630.79 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-[4-[1-[(4-morpholin-4-ylphenyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxypropyl]piperazine-1-carboxamide is sourced from PubChem (CID 58770754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).