N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide

C22H24N2O6 — CID 7293315

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc(OC)c(OC)c3)cccc2c1=O
InChIInChI=1S/C22H24N2O6/c1-27-12-11-24-10-9-16-17(22(24)26)5-4-6-18(16)30-14-21(25)23-15-7-8-19(28-2)20(13-15)29-3/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeyBDWNLBPAZATUDJ-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.68
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide

N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (PubChem CID 7293315) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
PubChem CID7293315
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc(OC)c(OC)c3)cccc2c1=O
InChIInChI=1S/C22H24N2O6/c1-27-12-11-24-10-9-16-17(22(24)26)5-4-6-18(16)30-14-21(25)23-15-7-8-19(28-2)20(13-15)29-3/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
InChIKeyBDWNLBPAZATUDJ-UHFFFAOYSA-N
XLogP2.68
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293166
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7293380
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
CID 121240182
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
N-(3-chloro-4-methoxyphenyl)-2-[[1-(2-methoxyethyl)-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 52900780
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (CID 7293315) is N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)Nc3ccc(OC)c(OC)c3)cccc2c1=O.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The InChIKey is BDWNLBPAZATUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-27-12-11-24-10-9-16-17(22(24)26)5-4-6-18(16)30-14-21(25)23-15-7-8-19(28-2)20(13-15)29-3/h4-10,13H,11-12,14H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide has a molecular weight of 412.44 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is sourced from PubChem (CID 7293315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).