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

C14H20N4O — CID 114523960

IUPAC1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
SMILESNc1cccc2c1CN(CCN1CCNC1=O)CC2
InChIInChI=1S/C14H20N4O/c15-13-3-1-2-11-4-6-17(10-12(11)13)8-9-18-7-5-16-14(18)19/h1-3H,4-10,15H2,(H,16,19)
InChIKeyGQQDKTSKUZTATL-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.65
Rot. Bonds3

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

1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one (PubChem CID 114523960) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
PubChem CID114523960
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
SMILESNc1cccc2c1CN(CCN1CCNC1=O)CC2
InChIInChI=1S/C14H20N4O/c15-13-3-1-2-11-4-6-17(10-12(11)13)8-9-18-7-5-16-14(18)19/h1-3H,4-10,15H2,(H,16,19)
InChIKeyGQQDKTSKUZTATL-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 114523973
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
2-[(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522016
ethyl 6-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 114524193
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
3-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoic acid
CID 107077632
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
3-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114522523

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one (CID 114523960) is 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one is Nc1cccc2c1CN(CCN1CCNC1=O)CC2.
What is the InChIKey of 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one?
The InChIKey is GQQDKTSKUZTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-13-3-1-2-11-4-6-17(10-12(11)13)8-9-18-7-5-16-14(18)19/h1-3H,4-10,15H2,(H,16,19).
What are the key properties of 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one?
1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 114523960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).