NYZWASOCJLRCHC-UHFFFAOYSA-N

C₂₃H₂₇N₃O₂ — CID 11516386

About NYZWASOCJLRCHC-UHFFFAOYSA-N

NYZWASOCJLRCHC-UHFFFAOYSA-N (PubChem CID 11516386) has the molecular formula C₂₃H₂₇N₃O₂ and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

Molecular Properties

• Compound Name: NYZWASOCJLRCHC-UHFFFAOYSA-N
• PubChem CID: 11516386
• Molecular Formula: C₂₃H₂₇N₃O₂
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
• SMILES: Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O
• InChI: InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
• InChIKey: NYZWASOCJLRCHC-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
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 NYZWASOCJLRCHC-UHFFFAOYSA-N?

The IUPAC name of NYZWASOCJLRCHC-UHFFFAOYSA-N (CID 11516386) is 3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one.

What is the SMILES notation for NYZWASOCJLRCHC-UHFFFAOYSA-N?

The canonical SMILES for NYZWASOCJLRCHC-UHFFFAOYSA-N is Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O.

What is the InChIKey of NYZWASOCJLRCHC-UHFFFAOYSA-N?

The InChIKey is NYZWASOCJLRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3.

What are the key properties of NYZWASOCJLRCHC-UHFFFAOYSA-N?

NYZWASOCJLRCHC-UHFFFAOYSA-N has a molecular weight of 377.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for NYZWASOCJLRCHC-UHFFFAOYSA-N is sourced from PubChem (CID 11516386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11516386 — identifiers, structure, computed properties (public domain)

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