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

C31H33N3O7 — CID 46175195

IUPAC6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C31H33N3O7/c1-19-28(29(35)32-2)21-5-4-20(14-25(21)40-19)41-24-6-9-33-23-16-27(26(36-3)15-22(23)24)37-11-10-34-17-30(7-8-30)31(18-34)38-12-13-39-31/h4-6,9,14-16H,7-8,10-13,17-18H2,1-3H3,(H,32,35)
InChIKeyGZDVATVRJOJGGR-UHFFFAOYSA-N
MW559.62 g/mol
LogP4.67
Rot. Bonds8

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

6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 46175195) has the molecular formula C31H33N3O7 and a molecular weight of 559.62 g/mol. Its IUPAC name is 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID46175195
Molecular FormulaC31H33N3O7
Molecular Weight559.62 g/mol
Exact Mass559.23
IUPAC Name6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C31H33N3O7/c1-19-28(29(35)32-2)21-5-4-20(14-25(21)40-19)41-24-6-9-33-23-16-27(26(36-3)15-22(23)24)37-11-10-34-17-30(7-8-30)31(18-34)38-12-13-39-31/h4-6,9,14-16H,7-8,10-13,17-18H2,1-3H3,(H,32,35)
InChIKeyGZDVATVRJOJGGR-UHFFFAOYSA-N
XLogP4.67
TPSA104.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 46175195) is 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12.
What is the InChIKey of 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is GZDVATVRJOJGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O7/c1-19-28(29(35)32-2)21-5-4-20(14-25(21)40-19)41-24-6-9-33-23-16-27(26(36-3)15-22(23)24)37-11-10-34-17-30(7-8-30)31(18-34)38-12-13-39-31/h4-6,9,14-16H,7-8,10-13,17-18H2,1-3H3,(H,32,35).
What are the key properties of 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 559.62 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46175195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).