2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

C26H27N3O5 — CID 143406690

IUPAC2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)cc(C)c2c1C(N)=O
InChIInChI=1S/C26H27N3O5/c1-16-13-19(15-23-24(16)25(26(27)30)17(2)33-23)34-22-5-6-28-21-14-18(3-4-20(21)22)32-12-9-29-7-10-31-11-8-29/h3-6,13-15H,7-12H2,1-2H3,(H2,27,30)
InChIKeyDGBVACLUKAPKQZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.20
Rot. Bonds7

About 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 143406690) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID143406690
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCc1oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)cc(C)c2c1C(N)=O
InChIInChI=1S/C26H27N3O5/c1-16-13-19(15-23-24(16)25(26(27)30)17(2)33-23)34-22-5-6-28-21-14-18(3-4-20(21)22)32-12-9-29-7-10-31-11-8-29/h3-6,13-15H,7-12H2,1-2H3,(H2,27,30)
InChIKeyDGBVACLUKAPKQZ-UHFFFAOYSA-N
XLogP4.20
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (CID 143406690) is 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)cc(C)c2c1C(N)=O.
What is the InChIKey of 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is DGBVACLUKAPKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-16-13-19(15-23-24(16)25(26(27)30)17(2)33-23)34-22-5-6-28-21-14-18(3-4-20(21)22)32-12-9-29-7-10-31-11-8-29/h3-6,13-15H,7-12H2,1-2H3,(H2,27,30).
What are the key properties of 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 143406690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).