6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C32H35N3O7 — CID 46175271

About 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 46175271) has the molecular formula C32H35N3O7 and a molecular weight of 573.65 g/mol. Its IUPAC name is 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
• PubChem CID: 46175271
• Molecular Formula: C32H35N3O7
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.25
• IUPAC Name: 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
• InChI: InChI=1S/C32H35N3O7/c1-20-29(30(36)33-2)22-6-5-21(15-26(22)41-20)42-25-7-10-34-24-17-28(27(37-3)16-23(24)25)38-12-4-11-35-18-31(8-9-31)32(19-35)39-13-14-40-32/h5-7,10,15-17H,4,8-9,11-14,18-19H2,1-3H3,(H,33,36)
• InChIKey: KKFHNWZJOQTTIV-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 104.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
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 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?

The IUPAC name of 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 46175271) is 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

What is the SMILES notation for 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?

The canonical SMILES for 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12.

What is the InChIKey of 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?

The InChIKey is KKFHNWZJOQTTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O7/c1-20-29(30(36)33-2)22-6-5-21(15-26(22)41-20)42-25-7-10-34-24-17-28(27(37-3)16-23(24)25)38-12-4-11-35-18-31(8-9-31)32(19-35)39-13-14-40-32/h5-7,10,15-17H,4,8-9,11-14,18-19H2,1-3H3,(H,33,36).

What are the key properties of 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?

6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 573.65 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46175271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).