6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C30H31N3O6 — CID 46175272

IUPAC6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12
InChIInChI=1S/C30H31N3O6/c1-18-28(29(35)31-2)20-6-5-19(13-24(20)38-18)39-23-7-10-32-22-15-26(25(36-3)14-21(22)23)37-12-4-11-33-16-27(34)30(17-33)8-9-30/h5-7,10,13-15H,4,8-9,11-12,16-17H2,1-3H3,(H,31,35)
InChIKeyLAXICOVSKMJWRH-UHFFFAOYSA-N
MW529.59 g/mol
LogP4.88
Rot. Bonds9

About 6-[6-methoxy-7-[3-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 46175272) has the molecular formula C30H31N3O6 and a molecular weight of 529.59 g/mol. Its IUPAC name is 6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID46175272
Molecular FormulaC30H31N3O6
Molecular Weight529.59 g/mol
Exact Mass529.22
IUPAC Name6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12
InChIInChI=1S/C30H31N3O6/c1-18-28(29(35)31-2)20-6-5-19(13-24(20)38-18)39-23-7-10-32-22-15-26(25(36-3)14-21(22)23)37-12-4-11-33-16-27(34)30(17-33)8-9-30/h5-7,10,13-15H,4,8-9,11-12,16-17H2,1-3H3,(H,31,35)
InChIKeyLAXICOVSKMJWRH-UHFFFAOYSA-N
XLogP4.88
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[6-methoxy-7-[3-(7-oxo-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-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 46175272) is 6-[6-methoxy-7-[3-(7-oxo-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-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12.
What is the InChIKey of 6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is LAXICOVSKMJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O6/c1-18-28(29(35)31-2)20-6-5-19(13-24(20)38-18)39-23-7-10-32-22-15-26(25(36-3)14-21(22)23)37-12-4-11-33-16-27(34)30(17-33)8-9-30/h5-7,10,13-15H,4,8-9,11-12,16-17H2,1-3H3,(H,31,35).
What are the key properties of 6-[6-methoxy-7-[3-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-7-[3-(7-oxo-5-azaspiro[2.4]heptan-5-yl)propoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46175272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).