2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid

C38H50ClN3O9 — CID 54606151

About 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid

2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid (PubChem CID 54606151) has the molecular formula C38H50ClN3O9 and a molecular weight of 728.28 g/mol. Its IUPAC name is 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid.

Molecular Properties

• Compound Name: 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid
• PubChem CID: 54606151
• Molecular Formula: C38H50ClN3O9
• Molecular Weight: 728.28 g/mol
• Exact Mass: 727.32
• IUPAC Name: 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid
• SMILES: CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O
• InChI: InChI=1S/C38H49N3O5.ClHO4/c1-6-25-23-40-14-12-26-19-34(43-2)36(45-4)21-29(26)32(40)17-28(25)18-33-30-22-37(46-5)35(44-3)20-27(30)13-15-41(33)38(42)31(39)16-24-10-8-7-9-11-24;2-1(3,4)5/h7-11,19-22,25,28,31-33H,6,12-18,23,39H2,1-5H3;(H,2,3,4,5)
• InChIKey: FNYGLGMODKPRAW-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 175.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.28
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid?

The IUPAC name of 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid (CID 54606151) is 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid.

What is the SMILES notation for 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid?

The canonical SMILES for 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid is CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1c2cc(OC)c(OC)cc2CCN1C(=O)C(N)Cc1ccccc1.[O-][Cl+3]([O-])([O-])O.

What is the InChIKey of 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid?

The InChIKey is FNYGLGMODKPRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49N3O5.ClHO4/c1-6-25-23-40-14-12-26-19-34(43-2)36(45-4)21-29(26)32(40)17-28(25)18-33-30-22-37(46-5)35(44-3)20-27(30)13-15-41(33)38(42)31(39)16-24-10-8-7-9-11-24;2-1(3,4)5/h7-11,19-22,25,28,31-33H,6,12-18,23,39H2,1-5H3;(H,2,3,4,5).

What are the key properties of 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid?

2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid has a molecular weight of 728.28 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-phenylpropan-1-one;perchloric acid is sourced from PubChem (CID 54606151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).