3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione

C14H18N4O2 — CID 114523973

IUPAC3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1cccc2c1CN(CCN1C(=O)CNC1=O)CC2
InChIInChI=1S/C14H18N4O2/c15-12-3-1-2-10-4-5-17(9-11(10)12)6-7-18-13(19)8-16-14(18)20/h1-3H,4-9,15H2,(H,16,20)
InChIKeySOAUNJIJMPEDKT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.18
Rot. Bonds3

About 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione

3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 114523973) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
PubChem CID114523973
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
SMILESNc1cccc2c1CN(CCN1C(=O)CNC1=O)CC2
InChIInChI=1S/C14H18N4O2/c15-12-3-1-2-10-4-5-17(9-11(10)12)6-7-18-13(19)8-16-14(18)20/h1-3H,4-9,15H2,(H,16,20)
InChIKeySOAUNJIJMPEDKT-UHFFFAOYSA-N
XLogP0.18
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
CID 114523960
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
ethyl 6-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 114524193
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524044
2-[(2-propylpyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114556435
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 114524122
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[(4,5-dibromothiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 102841985

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione (CID 114523973) is 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione is Nc1cccc2c1CN(CCN1C(=O)CNC1=O)CC2.
What is the InChIKey of 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is SOAUNJIJMPEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-12-3-1-2-10-4-5-17(9-11(10)12)6-7-18-13(19)8-16-14(18)20/h1-3H,4-9,15H2,(H,16,20).
What are the key properties of 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 114523973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).