N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide

C24H29N3O2 — CID 59579397

IUPACN-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2cccc3c(=O)n(CCN(C)C)ccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-17(2)16-18-8-10-19(11-9-18)23(28)25-22-7-5-6-21-20(22)12-13-27(24(21)29)15-14-26(3)4/h5-13,17H,14-16H2,1-4H3,(H,25,28)
InChIKeyRERKIIVISHKTPZ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.01
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide

N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide (PubChem CID 59579397) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide
PubChem CID59579397
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(=O)Nc2cccc3c(=O)n(CCN(C)C)ccc23)cc1
InChIInChI=1S/C24H29N3O2/c1-17(2)16-18-8-10-19(11-9-18)23(28)25-22-7-5-6-21-20(22)12-13-27(24(21)29)15-14-26(3)4/h5-13,17H,14-16H2,1-4H3,(H,25,28)
InChIKeyRERKIIVISHKTPZ-UHFFFAOYSA-N
XLogP4.01
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(3,5-dimethylphenyl)acetamide
CID 59579540
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579731
2-(1-adamantyl)-N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]acetamide
CID 25063414
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-3,5-dimethylbenzamide
CID 52913125
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
CID 59579446
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2,3-dimethylbenzamide
CID 59515866
3,5-dichloro-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]benzamide
CID 59515889
3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
2-(4-methoxyphenyl)-N-[2-(2-nitroethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 143544514
2-chloro-N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-3-methylbenzamide
CID 59515904
3-methyl-N-[1-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]isoquinolin-5-yl]benzamide
CID 59579585

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide (CID 59579397) is N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(=O)Nc2cccc3c(=O)n(CCN(C)C)ccc23)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide?
The InChIKey is RERKIIVISHKTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)16-18-8-10-19(11-9-18)23(28)25-22-7-5-6-21-20(22)12-13-27(24(21)29)15-14-26(3)4/h5-13,17H,14-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide?
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide has a molecular weight of 391.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 59579397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).