2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione

C14H16N2O2 — CID 65193492

IUPAC2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione
SMILESNCC(C1CC1)N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C14H16N2O2/c15-8-12(9-5-6-9)16-13(17)7-10-3-1-2-4-11(10)14(16)18/h1-4,9,12H,5-8,15H2
InChIKeyRBWCFPZDCLQWQF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.95
Rot. Bonds3

About 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione

2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione (PubChem CID 65193492) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione
PubChem CID65193492
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione
SMILESNCC(C1CC1)N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C14H16N2O2/c15-8-12(9-5-6-9)16-13(17)7-10-3-1-2-4-11(10)14(16)18/h1-4,9,12H,5-8,15H2
InChIKeyRBWCFPZDCLQWQF-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

2-(1-hydroxy-3-methylbutan-2-yl)-4H-isoquinoline-1,3-dione
CID 79244253
2-cyclohexyl-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetonitrile
CID 60976091
2-(1,3-dioxo-4H-isoquinolin-2-yl)butanamide
CID 165354402
2-(3-oxopentan-2-yl)-4H-isoquinoline-1,3-dione
CID 64866505
2-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile
CID 55029145
2-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
CID 43123754
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylbutanamide
CID 142327337
2-(2-aminobutyl)-4H-isoquinoline-1,3-dione
CID 62038047
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
2-(1,3-dioxo-4H-isoquinolin-2-yl)-4-methoxybutanoic acid
CID 62478449
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-methylbutanamide;ethane;molecular hydrogen
CID 144947828
2-amino-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid
CID 65443210

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione (CID 65193492) is 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione is NCC(C1CC1)N1C(=O)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione?
The InChIKey is RBWCFPZDCLQWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-12(9-5-6-9)16-13(17)7-10-3-1-2-4-11(10)14(16)18/h1-4,9,12H,5-8,15H2.
What are the key properties of 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione?
2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-cyclopropylethyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 65193492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).