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

C29H29N3O6 — CID 46175196

IUPAC6-[6-methoxy-7-[2-(7-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12
InChIInChI=1S/C29H29N3O6/c1-17-27(28(34)30-2)19-5-4-18(12-23(19)37-17)38-22-6-9-31-21-14-25(24(35-3)13-20(21)22)36-11-10-32-15-26(33)29(16-32)7-8-29/h4-6,9,12-14H,7-8,10-11,15-16H2,1-3H3,(H,30,34)
InChIKeyXKRYSLXHKNTURN-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.49
Rot. Bonds8

About 6-[6-methoxy-7-[2-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 46175196) has the molecular formula C29H29N3O6 and a molecular weight of 515.57 g/mol. Its IUPAC name is 6-[6-methoxy-7-[2-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID46175196
Molecular FormulaC29H29N3O6
Molecular Weight515.57 g/mol
Exact Mass515.21
IUPAC Name6-[6-methoxy-7-[2-(7-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12
InChIInChI=1S/C29H29N3O6/c1-17-27(28(34)30-2)19-5-4-18(12-23(19)37-17)38-22-6-9-31-21-14-25(24(35-3)13-20(21)22)36-11-10-32-15-26(33)29(16-32)7-8-29/h4-6,9,12-14H,7-8,10-11,15-16H2,1-3H3,(H,30,34)
InChIKeyXKRYSLXHKNTURN-UHFFFAOYSA-N
XLogP4.49
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-7-[2-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 46175196) is 6-[6-methoxy-7-[2-(7-oxo-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-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CC(=O)C6(CC6)C5)c(OC)cc34)ccc12.
What is the InChIKey of 6-[6-methoxy-7-[2-(7-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is XKRYSLXHKNTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6/c1-17-27(28(34)30-2)19-5-4-18(12-23(19)37-17)38-22-6-9-31-21-14-25(24(35-3)13-20(21)22)36-11-10-32-15-26(33)29(16-32)7-8-29/h4-6,9,12-14H,7-8,10-11,15-16H2,1-3H3,(H,30,34).
What are the key properties of 6-[6-methoxy-7-[2-(7-oxo-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-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-7-[2-(7-oxo-5-azaspiro[2.4]heptan-5-yl)ethoxy]quinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46175196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).