N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide

C20H20N2O5 — CID 2149356

IUPACN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-25-13-7-8-16(18(11-13)27-3)21-19(23)12-22-10-9-14-15(20(22)24)5-4-6-17(14)26-2/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyPWYGRFNKNWIKOI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.67
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (PubChem CID 2149356) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
PubChem CID2149356
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O5/c1-25-13-7-8-16(18(11-13)27-3)21-19(23)12-22-10-9-14-15(20(22)24)5-4-6-17(14)26-2/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyPWYGRFNKNWIKOI-UHFFFAOYSA-N
XLogP2.67
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149405
N-(2,4-dimethoxyphenyl)-2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetamide
CID 7293259
N-(2,4-dimethoxyphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591689
2-(5-methoxy-1-oxoisoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2149362
N-(2,4-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71683654
N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5058844
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
2-(2,5-dimethoxyphenyl)-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59515750
N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
CID 23610222
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide (CID 2149356) is N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is COc1ccc(NC(=O)Cn2ccc3c(OC)cccc3c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is PWYGRFNKNWIKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-13-7-8-16(18(11-13)27-3)21-19(23)12-22-10-9-14-15(20(22)24)5-4-6-17(14)26-2/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 2149356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).