3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H23N3O2 — CID 71930590

IUPAC3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCN1CCc2ccccc2C1
InChIInChI=1S/C18H23N3O2/c22-16-18(8-3-4-9-18)19-17(23)21(16)12-11-20-10-7-14-5-1-2-6-15(14)13-20/h1-2,5-6H,3-4,7-13H2,(H,19,23)
InChIKeyVWOLKGPFCWSOKG-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.91
Rot. Bonds3

About 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 71930590) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID71930590
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CCN1CCc2ccccc2C1
InChIInChI=1S/C18H23N3O2/c22-16-18(8-3-4-9-18)19-17(23)21(16)12-11-20-10-7-14-5-1-2-6-15(14)13-20/h1-2,5-6H,3-4,7-13H2,(H,19,23)
InChIKeyVWOLKGPFCWSOKG-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4876009
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
CID 65212502
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 64678711
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
3'-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 52941517
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]methanamine
CID 104678682
3'-(3-phenylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 84601346
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 71930590) is 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CCN1CCc2ccccc2C1.
What is the InChIKey of 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VWOLKGPFCWSOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-16-18(8-3-4-9-18)19-17(23)21(16)12-11-20-10-7-14-5-1-2-6-15(14)13-20/h1-2,5-6H,3-4,7-13H2,(H,19,23).
What are the key properties of 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 313.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71930590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).