7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one

C15H20N2O2 — CID 65161418

IUPAC7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESNc1ccc2c(c1)C(=O)N(CCC1CCCO1)CC2
InChIInChI=1S/C15H20N2O2/c16-12-4-3-11-5-7-17(15(18)14(11)10-12)8-6-13-2-1-9-19-13/h3-4,10,13H,1-2,5-9,16H2
InChIKeyPAXXOQIHFCHYFB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.84
Rot. Bonds3

About 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one

7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 65161418) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
PubChem CID65161418
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESNc1ccc2c(c1)C(=O)N(CCC1CCCO1)CC2
InChIInChI=1S/C15H20N2O2/c16-12-4-3-11-5-7-17(15(18)14(11)10-12)8-6-13-2-1-9-19-13/h3-4,10,13H,1-2,5-9,16H2
InChIKeyPAXXOQIHFCHYFB-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one (CID 65161418) is 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one is Nc1ccc2c(c1)C(=O)N(CCC1CCCO1)CC2.
What is the InChIKey of 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is PAXXOQIHFCHYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-12-4-3-11-5-7-17(15(18)14(11)10-12)8-6-13-2-1-9-19-13/h3-4,10,13H,1-2,5-9,16H2.
What are the key properties of 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one?
7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 65161418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).