About 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone
1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone (PubChem CID 175232540) has the molecular formula C47H63N5O2
and a molecular weight of 730.05 g/mol. Its IUPAC name is 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone.
Analyze 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone (CID 175232540) is 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone is CCCCc1c(CCCC)c(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)CN(C(=O)Cc2cccc(N(C)CCN(C)C)c2)CC3)n(C)c1C.
What is the InChIKey of 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone?
The InChIKey is JPFFXTPDKVDPNO-MGBGTMOVSA-N. The full InChI is InChI=1S/C47H63N5O2/c1-9-11-20-41-34(4)50(8)46(42(41)21-12-10-2)43-29-37-22-23-51(45(53)28-35-16-15-19-40(27-35)49(7)25-24-48(5)6)31-39(37)30-44(43)47(54)52-32-38-18-14-13-17-36(38)26-33(52)3/h13-19,27,29-30,33H,9-12,20-26,28,31-32H2,1-8H3/t33-/m1/s1.
What are the key properties of 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone?
1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone has a molecular weight of 730.05 g/mol, XLogP of 8.40, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dibutyl-1,5-dimethylpyrrol-2-yl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 175232540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).