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

C21H20N2O6 — CID 7293316

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2c1=O
InChIInChI=1S/C21H20N2O6/c1-26-10-9-23-8-7-15-16(21(23)25)3-2-4-17(15)27-12-20(24)22-14-5-6-18-19(11-14)29-13-28-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyMALZRVXNPRYHFU-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.39
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (PubChem CID 7293316) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
PubChem CID7293316
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
SMILESCOCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2c1=O
InChIInChI=1S/C21H20N2O6/c1-26-10-9-23-8-7-15-16(21(23)25)3-2-4-17(15)27-12-20(24)22-14-5-6-18-19(11-14)29-13-28-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)
InChIKeyMALZRVXNPRYHFU-UHFFFAOYSA-N
XLogP2.39
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 121240404
methyl 4-[[2-[2-(2-ethoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetyl]amino]benzoate
CID 16803082
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(1,3-benzodioxol-5-yl)-2-[[1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-oxo-3-pyridinyl]oxy]acetamide
CID 84572442
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-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
CID 121238954
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7685249
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide (CID 7293316) is N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is COCCn1ccc2c(OCC(=O)Nc3ccc4c(c3)OCO4)cccc2c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
The InChIKey is MALZRVXNPRYHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-26-10-9-23-8-7-15-16(21(23)25)3-2-4-17(15)27-12-20(24)22-14-5-6-18-19(11-14)29-13-28-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide has a molecular weight of 396.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide is sourced from PubChem (CID 7293316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).