3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide

C23H21N3O4 — CID 24760347

IUPAC3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cccc2c(=O)n(-c3cc(C)on3)ccc12
InChIInChI=1S/C23H21N3O4/c1-15-14-21(25-30-15)26-13-12-17-18(23(26)28)7-5-8-19(17)24-22(27)11-10-16-6-3-4-9-20(16)29-2/h3-9,12-14H,10-11H2,1-2H3,(H,24,27)
InChIKeyHTGZXFMVCAKSHY-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.87
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide

3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide (PubChem CID 24760347) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide
PubChem CID24760347
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cccc2c(=O)n(-c3cc(C)on3)ccc12
InChIInChI=1S/C23H21N3O4/c1-15-14-21(25-30-15)26-13-12-17-18(23(26)28)7-5-8-19(17)24-22(27)11-10-16-6-3-4-9-20(16)29-2/h3-9,12-14H,10-11H2,1-2H3,(H,24,27)
InChIKeyHTGZXFMVCAKSHY-UHFFFAOYSA-N
XLogP3.87
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
CID 59579676
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
CID 110734435
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-(2-methylimidazo[1,2-a]pyridin-8-yl)propanamide
CID 110735266
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953528
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
2,6-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370352
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide (CID 24760347) is 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide is COc1ccccc1CCC(=O)Nc1cccc2c(=O)n(-c3cc(C)on3)ccc12.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide?
The InChIKey is HTGZXFMVCAKSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-14-21(25-30-15)26-13-12-17-18(23(26)28)7-5-8-19(17)24-22(27)11-10-16-6-3-4-9-20(16)29-2/h3-9,12-14H,10-11H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide?
3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide has a molecular weight of 403.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide is sourced from PubChem (CID 24760347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).