ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate

C28H35N7O5 — CID 143371080

About ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate

ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate (PubChem CID 143371080) has the molecular formula C28H35N7O5 and a molecular weight of 549.63 g/mol. Its IUPAC name is ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate
• PubChem CID: 143371080
• Molecular Formula: C28H35N7O5
• Molecular Weight: 549.63 g/mol
• Exact Mass: 549.27
• IUPAC Name: ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate
• SMILES: CCOC(=O)NCCOc1ccc2c(C3CCN(C(=O)Nc4ccc(N5CCOCC5)nc4)CC3)ncnc2c1
• InChI: InChI=1S/C28H35N7O5/c1-2-39-28(37)29-9-14-40-22-4-5-23-24(17-22)31-19-32-26(23)20-7-10-35(11-8-20)27(36)33-21-3-6-25(30-18-21)34-12-15-38-16-13-34/h3-6,17-20H,2,7-16H2,1H3,(H,29,37)(H,33,36)
• InChIKey: YNYPZYNTBFORAG-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 131.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.63
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate?

The IUPAC name of ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate (CID 143371080) is ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate.

What is the SMILES notation for ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate?

The canonical SMILES for ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate is CCOC(=O)NCCOc1ccc2c(C3CCN(C(=O)Nc4ccc(N5CCOCC5)nc4)CC3)ncnc2c1.

What is the InChIKey of ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate?

The InChIKey is YNYPZYNTBFORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O5/c1-2-39-28(37)29-9-14-40-22-4-5-23-24(17-22)31-19-32-26(23)20-7-10-35(11-8-20)27(36)33-21-3-6-25(30-18-21)34-12-15-38-16-13-34/h3-6,17-20H,2,7-16H2,1H3,(H,29,37)(H,33,36).

What are the key properties of ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate?

ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate has a molecular weight of 549.63 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[4-[1-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]piperidin-4-yl]quinazolin-7-yl]oxyethyl]carbamate is sourced from PubChem (CID 143371080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).