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

C48H62N8O2 — CID 146399256

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

(8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 146399256) has the molecular formula C48H62N8O2 and a molecular weight of 783.08 g/mol. Its IUPAC name is (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 146399256
• Molecular Formula: C48H62N8O2
• Molecular Weight: 783.08 g/mol
• Exact Mass: 782.50
• IUPAC Name: (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(C[C@H]1Cc2c(cc(C3CC[C@H](N(C)C[C@@H]4Cc5c(cccc5N5CCOCC5)CN4)c4ncccc43)cc2N2CCOCC2)CN1)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C48H62N8O2/c1-53(44-12-3-7-33-9-5-15-49-47(33)44)31-38-28-42-36(30-52-38)25-35(26-46(42)56-19-23-58-24-20-56)39-13-14-45(48-40(39)10-6-16-50-48)54(2)32-37-27-41-34(29-51-37)8-4-11-43(41)55-17-21-57-22-18-55/h4-6,8-11,15-16,25-26,37-39,44-45,51-52H,3,7,12-14,17-24,27-32H2,1-2H3/t37-,38+,39?,44-,45-/m0/s1
• InChIKey: BJEKGXHTMDMLER-QLHDNINASA-N
• XLogP: 5.79
• TPSA: 81.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.08
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 146399256) is (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(C[C@H]1Cc2c(cc(C3CC[C@H](N(C)C[C@@H]4Cc5c(cccc5N5CCOCC5)CN4)c4ncccc43)cc2N2CCOCC2)CN1)[C@H]1CCCc2cccnc21.

What is the InChIKey of (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is BJEKGXHTMDMLER-QLHDNINASA-N. The full InChI is InChI=1S/C48H62N8O2/c1-53(44-12-3-7-33-9-5-15-49-47(33)44)31-38-28-42-36(30-52-38)25-35(26-46(42)56-19-23-58-24-20-56)39-13-14-45(48-40(39)10-6-16-50-48)54(2)32-37-27-41-34(29-51-37)8-4-11-43(41)55-17-21-57-22-18-55/h4-6,8-11,15-16,25-26,37-39,44-45,51-52H,3,7,12-14,17-24,27-32H2,1-2H3/t37-,38+,39?,44-,45-/m0/s1.

What are the key properties of (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

(8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 783.08 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-methyl-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]-N-[[(3S)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 146399256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).