[4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C34H43N3O4 — CID 155337446

About [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 155337446) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

• Compound Name: [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• PubChem CID: 155337446
• Molecular Formula: C34H43N3O4
• Molecular Weight: 557.74 g/mol
• Exact Mass: 557.33
• IUPAC Name: [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
• SMILES: Cc1cc2cccnc2cc1-c1ccc([C@H](OCCCN2CCOCC2)C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1
• InChI: InChI=1S/C34H43N3O4/c1-25-23-29-5-2-13-35-31(29)24-30(25)26-7-9-27(10-8-26)33(41-20-4-14-36-17-21-39-22-18-36)28-11-15-37(16-12-28)34(38)32-6-3-19-40-32/h2,5,7-10,13,23-24,28,32-33H,3-4,6,11-12,14-22H2,1H3/t32-,33+/m1/s1
• InChIKey: NKHOYQNFEPLISE-SAIUNTKASA-N
• XLogP: 5.41
• TPSA: 64.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.74
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The IUPAC name of [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 155337446) is [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

What is the SMILES notation for [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The canonical SMILES for [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1cc2cccnc2cc1-c1ccc([C@H](OCCCN2CCOCC2)C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1.

What is the InChIKey of [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

The InChIKey is NKHOYQNFEPLISE-SAIUNTKASA-N. The full InChI is InChI=1S/C34H43N3O4/c1-25-23-29-5-2-13-35-31(29)24-30(25)26-7-9-27(10-8-26)33(41-20-4-14-36-17-21-39-22-18-36)28-11-15-37(16-12-28)34(38)32-6-3-19-40-32/h2,5,7-10,13,23-24,28,32-33H,3-4,6,11-12,14-22H2,1H3/t32-,33+/m1/s1.

What are the key properties of [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?

[4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 557.74 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(R)-[4-(6-methylquinolin-7-yl)phenyl]-(3-morpholin-4-ylpropoxy)methyl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 155337446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).