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

C30H31N3O5 — CID 46175270

IUPAC6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2
InChIInChI=1S/C30H31N3O5/c1-18-16-33(17-30(18)8-9-30)11-12-36-27-15-23-22(14-26(27)35-4)24(7-10-32-23)38-20-5-6-21-25(13-20)37-19(2)28(21)29(34)31-3/h5-7,10,13-15H,1,8-9,11-12,16-17H2,2-4H3,(H,31,34)
InChIKeyRAXLPWJMFWUICZ-UHFFFAOYSA-N
MW513.59 g/mol
LogP5.48
Rot. Bonds8

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

6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 46175270) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID46175270
Molecular FormulaC30H31N3O5
Molecular Weight513.59 g/mol
Exact Mass513.23
IUPAC Name6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESC=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2
InChIInChI=1S/C30H31N3O5/c1-18-16-33(17-30(18)8-9-30)11-12-36-27-15-23-22(14-26(27)35-4)24(7-10-32-23)38-20-5-6-21-25(13-20)37-19(2)28(21)29(34)31-3/h5-7,10,13-15H,1,8-9,11-12,16-17H2,2-4H3,(H,31,34)
InChIKeyRAXLPWJMFWUICZ-UHFFFAOYSA-N
XLogP5.48
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]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-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 46175270) is 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is C=C1CN(CCOc2cc3nccc(Oc4ccc5c(C(=O)NC)c(C)oc5c4)c3cc2OC)CC12CC2.
What is the InChIKey of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is RAXLPWJMFWUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-18-16-33(17-30(18)8-9-30)11-12-36-27-15-23-22(14-26(27)35-4)24(7-10-32-23)38-20-5-6-21-25(13-20)37-19(2)28(21)29(34)31-3/h5-7,10,13-15H,1,8-9,11-12,16-17H2,2-4H3,(H,31,34).
What are the key properties of 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 513.59 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-7-[2-(7-methylidene-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46175270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).