2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one

C23H28N2O3 — CID 54578263

IUPAC2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)CN(CCCN1CCc3ccccc3C1=O)CC2
InChIInChI=1S/C23H28N2O3/c1-27-21-14-18-8-12-24(16-19(18)15-22(21)28-2)10-5-11-25-13-9-17-6-3-4-7-20(17)23(25)26/h3-4,6-7,14-15H,5,8-13,16H2,1-2H3
InChIKeySCOJHGYGZOUAPK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.15
Rot. Bonds6

About 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one

2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 54578263) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
PubChem CID54578263
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one
SMILESCOc1cc2c(cc1OC)CN(CCCN1CCc3ccccc3C1=O)CC2
InChIInChI=1S/C23H28N2O3/c1-27-21-14-18-8-12-24(16-19(18)15-22(21)28-2)10-5-11-25-13-9-17-6-3-4-7-20(17)23(25)26/h3-4,6-7,14-15H,5,8-13,16H2,1-2H3
InChIKeySCOJHGYGZOUAPK-UHFFFAOYSA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
2-(3-chloropropyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-one
CID 13327027
6,7-dimethoxy-2-[3-(5-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline
CID 24945105
2-[2-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl]-3,4-dihydroisoquinolin-1-one
CID 134242858
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one (CID 54578263) is 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one is COc1cc2c(cc1OC)CN(CCCN1CCc3ccccc3C1=O)CC2.
What is the InChIKey of 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is SCOJHGYGZOUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-14-18-8-12-24(16-19(18)15-22(21)28-2)10-5-11-25-13-9-17-6-3-4-7-20(17)23(25)26/h3-4,6-7,14-15H,5,8-13,16H2,1-2H3.
What are the key properties of 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one?
2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 54578263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).