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

C32H35N3O7 — CID 66619094

IUPAC6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12
InChIInChI=1S/C32H35N3O7/c1-19-29(30(36)33-2)22-7-6-21(13-26(22)41-19)42-25-8-9-35-24-15-28(27(37-3)14-23(24)25)38-10-4-5-20-16-31(20)17-34-18-32(31)39-11-12-40-32/h6-9,13-15,20,34H,4-5,10-12,16-18H2,1-3H3,(H,33,36)
InChIKeyFYQQPDYDGMGZTH-UHFFFAOYSA-N
MW573.65 g/mol
LogP4.96
Rot. Bonds9

About 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-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-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 66619094) 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-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID66619094
Molecular FormulaC32H35N3O7
Molecular Weight573.65 g/mol
Exact Mass573.25
IUPAC Name6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12
InChIInChI=1S/C32H35N3O7/c1-19-29(30(36)33-2)22-7-6-21(13-26(22)41-19)42-25-8-9-35-24-15-28(27(37-3)14-23(24)25)38-10-4-5-20-16-31(20)17-34-18-32(31)39-11-12-40-32/h6-9,13-15,20,34H,4-5,10-12,16-18H2,1-3H3,(H,33,36)
InChIKeyFYQQPDYDGMGZTH-UHFFFAOYSA-N
XLogP4.96
TPSA113.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)propoxy]-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-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-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-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 66619094) is 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-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-2-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-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCC5CC56CNCC65OCCO5)c(OC)cc34)ccc12.
What is the InChIKey of 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is FYQQPDYDGMGZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O7/c1-19-29(30(36)33-2)22-7-6-21(13-26(22)41-19)42-25-8-9-35-24-15-28(27(37-3)14-23(24)25)38-10-4-5-20-16-31(20)17-34-18-32(31)39-11-12-40-32/h6-9,13-15,20,34H,4-5,10-12,16-18H2,1-3H3,(H,33,36).
What are the key properties of 6-[7-[3-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-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-2-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 4.96, 9 rotatable bonds, 2 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-2-yl)propoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 66619094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).