7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione

C15H18N2O2 — CID 63095557

IUPAC7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)Cc2ccc(C(N)C3CCC3)cc2C1=O
InChIInChI=1S/C15H18N2O2/c1-17-13(18)8-10-5-6-11(7-12(10)15(17)19)14(16)9-3-2-4-9/h5-7,9,14H,2-4,8,16H2,1H3
InChIKeyHUPZSYABGRBPOG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.64
Rot. Bonds2

About 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione

7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione (PubChem CID 63095557) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
PubChem CID63095557
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione
SMILESCN1C(=O)Cc2ccc(C(N)C3CCC3)cc2C1=O
InChIInChI=1S/C15H18N2O2/c1-17-13(18)8-10-5-6-11(7-12(10)15(17)19)14(16)9-3-2-4-9/h5-7,9,14H,2-4,8,16H2,1H3
InChIKeyHUPZSYABGRBPOG-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione (CID 63095557) is 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione is CN1C(=O)Cc2ccc(C(N)C3CCC3)cc2C1=O.
What is the InChIKey of 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione?
The InChIKey is HUPZSYABGRBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-13(18)8-10-5-6-11(7-12(10)15(17)19)14(16)9-3-2-4-9/h5-7,9,14H,2-4,8,16H2,1H3.
What are the key properties of 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione?
7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(cyclobutyl)methyl]-2-methyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 63095557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).