2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one

C14H20N2O3 — CID 94694165

IUPAC2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(c(OC)c1)C(=O)N(CCCN)CC2
InChIInChI=1S/C14H20N2O3/c1-18-11-8-10-4-7-16(6-3-5-15)14(17)13(10)12(9-11)19-2/h8-9H,3-7,15H2,1-2H3
InChIKeyWSEQDGLCRAZIPH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.05
Rot. Bonds5

About 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one

2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 94694165) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
PubChem CID94694165
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(c(OC)c1)C(=O)N(CCCN)CC2
InChIInChI=1S/C14H20N2O3/c1-18-11-8-10-4-7-16(6-3-5-15)14(17)13(10)12(9-11)19-2/h8-9H,3-7,15H2,1-2H3
InChIKeyWSEQDGLCRAZIPH-UHFFFAOYSA-N
XLogP1.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-7-ethyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 82279753
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027
8,10-dimethoxy-5,6-dihydro-2H-pyrrolo[2,1-a]isoquinolin-3-one
CID 46918660
6-bromo-8-methoxy-2-(pyridin-4-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 178067555
6,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one;ethane;propane
CID 143278523
7,8-dimethoxy-3-[3-[2-(4-methoxyphenyl)ethyl-methylamino]propyl]-2,5-dihydro-1H-3-benzazepin-4-one
CID 13092514
3-[3-[2-(3,4-dimethoxy-N-methylanilino)ethyl-methylamino]propyl]-7,8-dimethoxy-1,2-dihydro-3-benzazepine-4,5-dione
CID 57295679
2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 54578263
2-[(3-chloro-4-fluorophenyl)methyl]-8-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 175867188
1-(3-aminopropyl)-5-methoxy-7-methylindole-2,3-dione
CID 84633041
3-[3-[2-(4-chlorophenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
CID 45264256

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one (CID 94694165) is 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one is COc1cc2c(c(OC)c1)C(=O)N(CCCN)CC2.
What is the InChIKey of 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is WSEQDGLCRAZIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-11-8-10-4-7-16(6-3-5-15)14(17)13(10)12(9-11)19-2/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one?
2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6,8-dimethoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 94694165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).