2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione

C19H19N3O2 — CID 162625316

IUPAC2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)
InChIKeyYKGOQXICHYEMJW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.24
Rot. Bonds2

About 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione

2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 162625316) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID162625316
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)
InChIKeyYKGOQXICHYEMJW-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 162625316) is 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CC(C3CCC3)C2)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is YKGOQXICHYEMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24).
What are the key properties of 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 321.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 162625316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).