3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide

C21H22N2O2 — CID 22914857

IUPAC3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2)n(C)c(=O)c2ccc(C)cc12
InChIInChI=1S/C21H22N2O2/c1-14-9-10-17-18(13-14)16(11-12-19(24)22-2)20(23(3)21(17)25)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyZSRUPZMNZRLTJH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.19
Rot. Bonds4

About 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide

3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide (PubChem CID 22914857) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide
PubChem CID22914857
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide
SMILESCNC(=O)CCc1c(-c2ccccc2)n(C)c(=O)c2ccc(C)cc12
InChIInChI=1S/C21H22N2O2/c1-14-9-10-17-18(13-14)16(11-12-19(24)22-2)20(23(3)21(17)25)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)
InChIKeyZSRUPZMNZRLTJH-UHFFFAOYSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoic acid
CID 15839869
[4-(hydroxymethyl)-1-methyl-2,5-diphenylpyrrol-3-yl]methanol;methylcarbamic acid
CID 21125874
2,5-dimethyl-1,3-diphenylisoindole
CID 4267799
4-(ethoxymethyl)-2,6-dimethyl-3-(2-methylphenyl)isoquinolin-1-one
CID 56951438
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9077881
2-methyl-3-phenyl-4-(propan-2-yloxymethyl)isoquinolin-1-one
CID 56951295
4-benzyl-2,6-dimethylphthalazin-1-one
CID 15959130
methyl 7-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 177224142
6-(hydroxymethyl)-2,3-dimethyl-4-phenylisoquinolin-1-one
CID 71130369
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
N-(1H-benzimidazol-2-ylmethyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 18105229
2-(4,7-dimethyl-2-phenylimidazo[1,2-a]benzimidazol-1-yl)-N-methylacetamide
CID 15225718

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide?
The IUPAC name of 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide (CID 22914857) is 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide is CNC(=O)CCc1c(-c2ccccc2)n(C)c(=O)c2ccc(C)cc12.
What is the InChIKey of 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide?
The InChIKey is ZSRUPZMNZRLTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-9-10-17-18(13-14)16(11-12-19(24)22-2)20(23(3)21(17)25)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide?
3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide is sourced from PubChem (CID 22914857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).