N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide

C24H24N2O5 — CID 11418728

IUPACN-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCOCCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
InChIInChI=1S/C24H24N2O5/c1-4-29-12-11-26-24(27)23-15(2)30-22-14-17(6-8-19(22)23)31-21-9-10-25-20-13-16(28-3)5-7-18(20)21/h5-10,13-14H,4,11-12H2,1-3H3,(H,26,27)
InChIKeyXPOHCJSDNLFHDN-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.86
Rot. Bonds8

About N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide

N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 11418728) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID11418728
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCOCCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OC)ccc34)ccc12
InChIInChI=1S/C24H24N2O5/c1-4-29-12-11-26-24(27)23-15(2)30-22-14-17(6-8-19(22)23)31-21-9-10-25-20-13-16(28-3)5-7-18(20)21/h5-10,13-14H,4,11-12H2,1-3H3,(H,26,27)
InChIKeyXPOHCJSDNLFHDN-UHFFFAOYSA-N
XLogP4.86
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 143070677
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
N-(4,6-dimethyl-2-pyridinyl)-2-methyl-6-(7-phenylmethoxyquinolin-4-yl)oxy-1-benzofuran-3-carboxamide
CID 59730751
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
CID 11612547
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
CID 11431839
6-[7-[2-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 46175197
N-[2-(5-fluoro-3H-benzimidazol-1-ium-1-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
CID 23572876
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
6-[7-[2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-2-yl)ethoxy]-6-methoxyquinolin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 66619047
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-(2-ethoxyethyl)-7-methylquinoline-6-carboxamide
CID 58272184

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide (CID 11418728) is N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide is CCOCCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OC)ccc34)ccc12.
What is the InChIKey of N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is XPOHCJSDNLFHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-4-29-12-11-26-24(27)23-15(2)30-22-14-17(6-8-19(22)23)31-21-9-10-25-20-13-16(28-3)5-7-18(20)21/h5-10,13-14H,4,11-12H2,1-3H3,(H,26,27).
What are the key properties of N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide?
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 11418728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).