N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

C21H21N3O4 — CID 15993533

IUPACN-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-14-11-15-7-3-4-8-16(15)21(27)24(14)13-20(26)22-12-19(25)23-17-9-5-6-10-18(17)28-2/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFHKDBVZBLDDJEU-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.07
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (PubChem CID 15993533) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
PubChem CID15993533
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCOc1ccccc1NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4/c1-14-11-15-7-3-4-8-16(15)21(27)24(14)13-20(26)22-12-19(25)23-17-9-5-6-10-18(17)28-2/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyFHKDBVZBLDDJEU-UHFFFAOYSA-N
XLogP2.07
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 5058844
N-(4-bromo-2-methylphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571286
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 3236169
2-anthracen-9-yl-N-(2-methoxyphenyl)acetamide
CID 102391843
2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 1417073
N-cyclohexyl-N-methyl-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 4571287
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(5-acetamido-2-methoxyphenyl)-2-(2-methylindol-1-yl)acetamide
CID 17419691
2-[[2-(2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46550854
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (CID 15993533) is N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is COc1ccccc1NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The InChIKey is FHKDBVZBLDDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-11-15-7-3-4-8-16(15)21(27)24(14)13-20(26)22-12-19(25)23-17-9-5-6-10-18(17)28-2/h3-11H,12-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 15993533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).