N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

C22H23N3O5 — CID 4571281

IUPACN-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-14-10-15-6-4-5-7-17(15)22(28)25(14)13-21(27)23-12-20(26)24-18-9-8-16(29-2)11-19(18)30-3/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGFDCHLPYIZYVSJ-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.08
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide

N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (PubChem CID 4571281) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
PubChem CID4571281
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C22H23N3O5/c1-14-10-15-6-4-5-7-17(15)22(28)25(14)13-21(27)23-12-20(26)24-18-9-8-16(29-2)11-19(18)30-3/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGFDCHLPYIZYVSJ-UHFFFAOYSA-N
XLogP2.08
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-
CID 3038495
N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 710605
N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
CID 2321450
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-2-phenylacetamide
CID 23648315
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-(3,5-Dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2420253
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-phenylpropanamide
CID 23648316
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl][2.2]-paracyclophane-4-carboxamide
CID 11504230
4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-benzamide
CID 11761374
2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CID 25256816

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide (CID 4571281) is N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is COc1ccc(NC(=O)CNC(=O)Cn2c(C)cc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
The InChIKey is GFDCHLPYIZYVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-14-10-15-6-4-5-7-17(15)22(28)25(14)13-21(27)23-12-20(26)24-18-9-8-16(29-2)11-19(18)30-3/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide?
N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide has a molecular weight of 409.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 4571281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).