4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide

C16H21N3O2 — CID 22931238

IUPAC4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide
SMILESCc1cccc2c(=O)[nH]c(NC(=O)CCCN(C)C)cc12
InChIInChI=1S/C16H21N3O2/c1-11-6-4-7-12-13(11)10-14(18-16(12)21)17-15(20)8-5-9-19(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,18,20,21)
InChIKeyMDJQCHHJFTWIRK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds5

About 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide

4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide (PubChem CID 22931238) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide
PubChem CID22931238
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide
SMILESCc1cccc2c(=O)[nH]c(NC(=O)CCCN(C)C)cc12
InChIInChI=1S/C16H21N3O2/c1-11-6-4-7-12-13(11)10-14(18-16(12)21)17-15(20)8-5-9-19(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,18,20,21)
InChIKeyMDJQCHHJFTWIRK-UHFFFAOYSA-N
XLogP2.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide 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

4-(dimethylamino)-N-(5-oxo-6,11-dihydroindeno[1,2-c]isoquinolin-10-yl)butanamide
CID 11847527
4-(dimethylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide
CID 23449483
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-(2-aminoethyl)-5-methyl-2H-isoquinolin-1-one
CID 84619894
N-[3-(dimethylamino)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100727714
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
3-[4-[butyl(methyl)amino]-3-hydroxybutyl]-5-methyl-2H-isoquinolin-1-one;ethane
CID 142880249
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
4-N-[3-acetamido-5-(hydroxymethyl)phenyl]-1-N-[3-[4-(dimethylamino)butanoylamino]phenyl]benzene-1,4-dicarboxamide
CID 162659256
4-(dimethylamino)-N-(8-sulfanylquinolin-3-yl)butanamide
CID 159127729

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide?
The IUPAC name of 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide (CID 22931238) is 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide?
The canonical SMILES for 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide is Cc1cccc2c(=O)[nH]c(NC(=O)CCCN(C)C)cc12.
What is the InChIKey of 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide?
The InChIKey is MDJQCHHJFTWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-4-7-12-13(11)10-14(18-16(12)21)17-15(20)8-5-9-19(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide?
4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(5-methyl-1-oxo-2H-isoquinolin-3-yl)butanamide is sourced from PubChem (CID 22931238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).