2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one

C14H20N2O2 — CID 82279753

IUPAC2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCCc1cc2c(cc1OC)CCN(CCN)C2=O
InChIInChI=1S/C14H20N2O2/c1-3-10-8-12-11(9-13(10)18-2)4-6-16(7-5-15)14(12)17/h8-9H,3-7,15H2,1-2H3
InChIKeyYMUWELVTNIKFMI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds4

About 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one

2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 82279753) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
PubChem CID82279753
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCCc1cc2c(cc1OC)CCN(CCN)C2=O
InChIInChI=1S/C14H20N2O2/c1-3-10-8-12-11(9-13(10)18-2)4-6-16(7-5-15)14(12)17/h8-9H,3-7,15H2,1-2H3
InChIKeyYMUWELVTNIKFMI-UHFFFAOYSA-N
XLogP1.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027
2-(2-aminoethyl)-7-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 82130739
2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
CID 82279729
2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 158778452
2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 94694165
2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
CID 82487041
ethyl 9-ethyl-8-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate
CID 89464710
2-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-7-pentoxy-3,4-dihydroisoquinolin-1-one
CID 19363245
2-[3-amino-5-(1H-indol-3-yl)-3-methylpentyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 57230882
2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 54578263
2-[(3,5-dimethoxyphenyl)methyl]-6-fluoro-7-(hydroxymethyl)-3,4-dihydroisoquinolin-1-one
CID 166572596
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one (CID 82279753) is 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one is CCc1cc2c(cc1OC)CCN(CCN)C2=O.
What is the InChIKey of 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is YMUWELVTNIKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-8-12-11(9-13(10)18-2)4-6-16(7-5-15)14(12)17/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one?
2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 82279753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).