7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione

C15H15NO3 — CID 63095917

IUPAC7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)Cc2ccc(C(=O)CC3CC3)cc2C1=O
InChIInChI=1S/C15H15NO3/c1-16-14(18)8-10-4-5-11(7-12(10)15(16)19)13(17)6-9-2-3-9/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyFEXPKAYPTVOYRY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.82
Rot. Bonds3

About 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione

7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione (PubChem CID 63095917) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione
PubChem CID63095917
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)Cc2ccc(C(=O)CC3CC3)cc2C1=O
InChIInChI=1S/C15H15NO3/c1-16-14(18)8-10-4-5-11(7-12(10)15(16)19)13(17)6-9-2-3-9/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyFEXPKAYPTVOYRY-UHFFFAOYSA-N
XLogP1.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione (CID 63095917) is 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione is CN1C(=O)Cc2ccc(C(=O)CC3CC3)cc2C1=O.
What is the InChIKey of 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione?
The InChIKey is FEXPKAYPTVOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16-14(18)8-10-4-5-11(7-12(10)15(16)19)13(17)6-9-2-3-9/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione?
7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione has a molecular weight of 257.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopropylacetyl)-2-methyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 63095917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).