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

C26H27N3O5 — CID 11236560

IUPACN,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12
InChIInChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30)
InChIKeyLGXVKMDGSIWEHL-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.15
Rot. Bonds7

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

N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 11236560) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID11236560
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12
InChIInChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30)
InChIKeyLGXVKMDGSIWEHL-UHFFFAOYSA-N
XLogP4.15
TPSA86.06 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
7-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824189
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52944388
2-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220321
3-(1-(2-(6-methoxybenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11245732
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
CID 2933509
N-(2-methoxydibenzofuran-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2098333
N-[(2,4-dimethoxyphenyl)methyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 5308787
2-(2,4-diethoxyphenyl)-N'-[(1E)-1-(pyridin-3-yl)ethylidene]quinoline-4-carbohydrazide
CID 25237309
8-(2-(Diethylamino)ethoxy)benzofuro[3,2-g]quinoline-5,11-dione
CID 44428913
8-[2-[Di(propan-2-yl)amino]ethoxy]-[1]benzofuro[3,2-g]quinoline-5,11-dione
CID 44428914
8-[1-(Dimethylamino)propan-2-yloxy]-[1]benzofuro[3,2-g]quinoline-5,11-dione
CID 44428915

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (CID 11236560) is N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCCN5CCOCC5)ccc34)ccc12.
What is the InChIKey of N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is LGXVKMDGSIWEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-17-25(26(30)27-2)21-6-4-19(16-24(21)33-17)34-23-7-8-28-22-15-18(3-5-20(22)23)32-14-11-29-9-12-31-13-10-29/h3-8,15-16H,9-14H2,1-2H3,(H,27,30).
What are the key properties of N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
N,2-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 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 11236560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).