N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide

C20H20N2O4 — CID 5058844

IUPACN-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-13-10-14-6-4-5-7-16(14)20(24)22(13)12-19(23)21-17-9-8-15(25-2)11-18(17)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKCMMUHWEAGPZIC-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.97
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide

N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide (PubChem CID 5058844) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
PubChem CID5058844
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C20H20N2O4/c1-13-10-14-6-4-5-7-16(14)20(24)22(13)12-19(23)21-17-9-8-15(25-2)11-18(17)26-3/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKCMMUHWEAGPZIC-UHFFFAOYSA-N
XLogP2.97
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15993533
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 1417073
N-(2,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116413
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
N-(2,4-dimethoxyphenyl)-2-(5-methoxy-1-oxoisoquinolin-2-yl)acetamide
CID 2149356
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
N-(2,4-dimethoxyphenyl)-2-(4-methyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50833878
N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571286
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide (CID 5058844) is N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide is COc1ccc(NC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide?
The InChIKey is KCMMUHWEAGPZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-10-14-6-4-5-7-16(14)20(24)22(13)12-19(23)21-17-9-8-15(25-2)11-18(17)26-3/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide is sourced from PubChem (CID 5058844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).