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

C95H97N9O15 — CID 158416140

IUPAC6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C33H35N3O6.C31H31N3O5.C31H31N3O4/c1-34-31(37)25-6-3-5-22-17-23(7-8-24(22)25)42-28-9-12-35-27-19-30(29(38-2)18-26(27)28)39-14-4-13-36-20-32(10-11-32)33(21-36)40-15-16-41-33;1-32-30(36)23-6-3-5-20-15-21(7-8-22(20)23)39-26-9-12-33-25-17-28(27(37-2)16-24(25)26)38-14-4-13-34-18-29(35)31(19-34)10-11-31;1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h3,5-9,12,17-19H,4,10-11,13-16,20-21H2,1-2H3,(H,34,37);3,5-9,12,15-17H,4,10-11,13-14,18-19H2,1-2H3,(H,32,36);4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35)
InChIKeyGZXMMLWLUKFLQI-UHFFFAOYSA-N
MW1604.87 g/mol
LogP15.72
Rot. Bonds26

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

6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (PubChem CID 158416140) has the molecular formula C95H97N9O15 and a molecular weight of 1604.87 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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
PubChem CID158416140
Molecular FormulaC95H97N9O15
Molecular Weight1604.87 g/mol
Exact Mass1603.71
IUPAC Name6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CC6(CC6)C6(C5)OCCO6)c(OC)cc34)ccc12
InChIInChI=1S/C33H35N3O6.C31H31N3O5.C31H31N3O4/c1-34-31(37)25-6-3-5-22-17-23(7-8-24(22)25)42-28-9-12-35-27-19-30(29(38-2)18-26(27)28)39-14-4-13-36-20-32(10-11-32)33(21-36)40-15-16-41-33;1-32-30(36)23-6-3-5-20-15-21(7-8-22(20)23)39-26-9-12-33-25-17-28(27(37-2)16-24(25)26)38-14-4-13-34-18-29(35)31(19-34)10-11-31;1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h3,5-9,12,17-19H,4,10-11,13-16,20-21H2,1-2H3,(H,34,37);3,5-9,12,15-17H,4,10-11,13-14,18-19H2,1-2H3,(H,32,36);4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35)
InChIKeyGZXMMLWLUKFLQI-UHFFFAOYSA-N
XLogP15.72
TPSA254.29 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.87
LogP ≤ 515.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide (CID 158416140) is 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is C=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)cccc5c4)c3cc2OC)CC12CC2.CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12.CNC(=O)c1cccc2cc(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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
The InChIKey is GZXMMLWLUKFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O6.C31H31N3O5.C31H31N3O4/c1-34-31(37)25-6-3-5-22-17-23(7-8-24(22)25)42-28-9-12-35-27-19-30(29(38-2)18-26(27)28)39-14-4-13-36-20-32(10-11-32)33(21-36)40-15-16-41-33;1-32-30(36)23-6-3-5-20-15-21(7-8-22(20)23)39-26-9-12-33-25-17-28(27(37-2)16-24(25)26)38-14-4-13-34-18-29(35)31(19-34)10-11-31;1-20-18-34(19-31(20)10-11-31)13-14-37-29-17-26-25(16-28(29)36-3)27(9-12-33-26)38-22-7-8-23-21(15-22)5-4-6-24(23)30(35)32-2/h3,5-9,12,17-19H,4,10-11,13-16,20-21H2,1-2H3,(H,34,37);3,5-9,12,15-17H,4,10-11,13-14,18-19H2,1-2H3,(H,32,36);4-9,12,15-17H,1,10-11,13-14,18-19H2,2-3H3,(H,32,35).
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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide?
6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide has a molecular weight of 1604.87 g/mol, XLogP of 15.72, 26 rotatable bonds, 3 hydrogen bond donors, and 21 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-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide;6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 158416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).