N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

C20H25N3O2 — CID 138011170

IUPACN-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1c[nH]c(=O)c2ccccc12)C1CNCC12CCCCC2
InChIInChI=1S/C20H25N3O2/c24-18-16-7-3-2-6-15(16)14(10-22-18)11-23-19(25)17-12-21-13-20(17)8-4-1-5-9-20/h2-3,6-7,10,17,21H,1,4-5,8-9,11-13H2,(H,22,24)(H,23,25)
InChIKeyJRNGMICRDAXRCS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.31
Rot. Bonds3

About N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide

N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 138011170) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID138011170
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1c[nH]c(=O)c2ccccc12)C1CNCC12CCCCC2
InChIInChI=1S/C20H25N3O2/c24-18-16-7-3-2-6-15(16)14(10-22-18)11-23-19(25)17-12-21-13-20(17)8-4-1-5-9-20/h2-3,6-7,10,17,21H,1,4-5,8-9,11-13H2,(H,22,24)(H,23,25)
InChIKeyJRNGMICRDAXRCS-UHFFFAOYSA-N
XLogP2.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide (CID 138011170) is N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1c[nH]c(=O)c2ccccc12)C1CNCC12CCCCC2.
What is the InChIKey of N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is JRNGMICRDAXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-18-16-7-3-2-6-15(16)14(10-22-18)11-23-19(25)17-12-21-13-20(17)8-4-1-5-9-20/h2-3,6-7,10,17,21H,1,4-5,8-9,11-13H2,(H,22,24)(H,23,25).
What are the key properties of N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide?
N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-oxo-2H-isoquinolin-4-yl)methyl]-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 138011170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).