(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C52H70N8O2 — CID 146398824

IUPAC(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@@H]1COC[C@H](C)N1c1cc(C2CC[C@H](N(C)C[C@@H]3Cc4c(cccc4N4[C@H](C)COC[C@@H]4C)CN3)c3ncccc32)cc2c1C[C@H](CN(C)[C@H]1CCCc3cccnc31)NC2
InChIInChI=1S/C52H70N8O2/c1-33-29-61-30-34(2)59(33)47-15-8-12-38-25-55-41(23-45(38)47)28-58(6)49-18-17-43(44-14-10-20-54-52(44)49)39-21-40-26-56-42(24-46(40)50(22-39)60-35(3)31-62-32-36(60)4)27-57(5)48-16-7-11-37-13-9-19-53-51(37)48/h8-10,12-15,19-22,33-36,41-43,48-49,55-56H,7,11,16-18,23-32H2,1-6H3/t33-,34+,35-,36+,41-,42+,43?,48-,49-/m0/s1
InChIKeyPYKMZBULOACKAH-KFUXWICESA-N
MW839.19 g/mol
LogP7.34
Rot. Bonds9

About (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 146398824) has the molecular formula C52H70N8O2 and a molecular weight of 839.19 g/mol. Its IUPAC name is (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID146398824
Molecular FormulaC52H70N8O2
Molecular Weight839.19 g/mol
Exact Mass838.56
IUPAC Name(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC[C@@H]1COC[C@H](C)N1c1cc(C2CC[C@H](N(C)C[C@@H]3Cc4c(cccc4N4[C@H](C)COC[C@@H]4C)CN3)c3ncccc32)cc2c1C[C@H](CN(C)[C@H]1CCCc3cccnc31)NC2
InChIInChI=1S/C52H70N8O2/c1-33-29-61-30-34(2)59(33)47-15-8-12-38-25-55-41(23-45(38)47)28-58(6)49-18-17-43(44-14-10-20-54-52(44)49)39-21-40-26-56-42(24-46(40)50(22-39)60-35(3)31-62-32-36(60)4)27-57(5)48-16-7-11-37-13-9-19-53-51(37)48/h8-10,12-15,19-22,33-36,41-43,48-49,55-56H,7,11,16-18,23-32H2,1-6H3/t33-,34+,35-,36+,41-,42+,43?,48-,49-/m0/s1
InChIKeyPYKMZBULOACKAH-KFUXWICESA-N
XLogP7.34
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.19
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 146398824) is (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is C[C@@H]1COC[C@H](C)N1c1cc(C2CC[C@H](N(C)C[C@@H]3Cc4c(cccc4N4[C@H](C)COC[C@@H]4C)CN3)c3ncccc32)cc2c1C[C@H](CN(C)[C@H]1CCCc3cccnc31)NC2.
What is the InChIKey of (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is PYKMZBULOACKAH-KFUXWICESA-N. The full InChI is InChI=1S/C52H70N8O2/c1-33-29-61-30-34(2)59(33)47-15-8-12-38-25-55-41(23-45(38)47)28-58(6)49-18-17-43(44-14-10-20-54-52(44)49)39-21-40-26-56-42(24-46(40)50(22-39)60-35(3)31-62-32-36(60)4)27-57(5)48-16-7-11-37-13-9-19-53-51(37)48/h8-10,12-15,19-22,33-36,41-43,48-49,55-56H,7,11,16-18,23-32H2,1-6H3/t33-,34+,35-,36+,41-,42+,43?,48-,49-/m0/s1.
What are the key properties of (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 839.19 g/mol, XLogP of 7.34, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-[(3R)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-[(3S,5R)-3,5-dimethylmorpholin-4-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 146398824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).