6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C94H101N9O17 — CID 160909666

IUPAC6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESC=C1CN(CCCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2.CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(OC)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C32H33N3O6.C31H35N3O6.C31H33N3O5/c1-33-30(36)24-5-3-4-21-16-22(6-7-23(21)24)41-27-8-11-34-26-18-29(28(37-2)17-25(26)27)38-13-12-35-19-31(9-10-31)32(20-35)39-14-15-40-32;1-19-29(30(35)32-2)21-7-6-20(14-25(21)39-19)40-24-8-11-33-23-16-27(26(36-3)15-22(23)24)38-13-5-12-34-17-28(37-4)31(18-34)9-10-31;1-19-17-34(18-31(19)9-10-31)12-5-13-37-28-16-24-23(15-27(28)36-4)25(8-11-33-24)39-21-6-7-22-26(14-21)38-20(2)29(22)30(35)32-3/h3-8,11,16-18H,9-10,12-15,19-20H2,1-2H3,(H,33,36);6-8,11,14-16,28H,5,9-10,12-13,17-18H2,1-4H3,(H,32,35);6-8,11,14-16H,1,5,9-10,12-13,17-18H2,2-4H3,(H,32,35)
InChIKeySQPKYIZKOUVELR-UHFFFAOYSA-N
MW1628.89 g/mol
LogP15.97
Rot. Bonds27

About 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 160909666) has the molecular formula C94H101N9O17 and a molecular weight of 1628.89 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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID160909666
Molecular FormulaC94H101N9O17
Molecular Weight1628.89 g/mol
Exact Mass1627.73
IUPAC Name6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESC=C1CN(CCCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2.CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(OC)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C32H33N3O6.C31H35N3O6.C31H33N3O5/c1-33-30(36)24-5-3-4-21-16-22(6-7-23(21)24)41-27-8-11-34-26-18-29(28(37-2)17-25(26)27)38-13-12-35-19-31(9-10-31)32(20-35)39-14-15-40-32;1-19-29(30(35)32-2)21-7-6-20(14-25(21)39-19)40-24-8-11-33-23-16-27(26(36-3)15-22(23)24)38-13-5-12-34-17-28(37-4)31(18-34)9-10-31;1-19-17-34(18-31(19)9-10-31)12-5-13-37-28-16-24-23(15-27(28)36-4)25(8-11-33-24)39-21-6-7-22-26(14-21)38-20(2)29(22)30(35)32-3/h3-8,11,16-18H,9-10,12-15,19-20H2,1-2H3,(H,33,36);6-8,11,14-16,28H,5,9-10,12-13,17-18H2,1-4H3,(H,32,35);6-8,11,14-16H,1,5,9-10,12-13,17-18H2,2-4H3,(H,32,35)
InChIKeySQPKYIZKOUVELR-UHFFFAOYSA-N
XLogP15.97
TPSA272.73 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001628.89
LogP ≤ 515.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 160909666) is 6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is C=C1CN(CCCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2.CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(OC)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is SQPKYIZKOUVELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O6.C31H35N3O6.C31H33N3O5/c1-33-30(36)24-5-3-4-21-16-22(6-7-23(21)24)41-27-8-11-34-26-18-29(28(37-2)17-25(26)27)38-13-12-35-19-31(9-10-31)32(20-35)39-14-15-40-32;1-19-29(30(35)32-2)21-7-6-20(14-25(21)39-19)40-24-8-11-33-23-16-27(26(36-3)15-22(23)24)38-13-5-12-34-17-28(37-4)31(18-34)9-10-31;1-19-17-34(18-31(19)9-10-31)12-5-13-37-28-16-24-23(15-27(28)36-4)25(8-11-33-24)39-21-6-7-22-26(14-21)38-20(2)29(22)30(35)32-3/h3-8,11,16-18H,9-10,12-15,19-20H2,1-2H3,(H,33,36);6-8,11,14-16,28H,5,9-10,12-13,17-18H2,1-4H3,(H,32,35);6-8,11,14-16H,1,5,9-10,12-13,17-18H2,2-4H3,(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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 1628.89 g/mol, XLogP of 15.97, 27 rotatable bonds, 3 hydrogen bond donors, and 23 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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-methoxy-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;6-[6-methoxy-7-[3-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 160909666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).