N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine

C68H90N12O3 — CID 146398287

About N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine

N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 146398287) has the molecular formula C68H90N12O3 and a molecular weight of 1123.55 g/mol. Its IUPAC name is N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine
• PubChem CID: 146398287
• Molecular Formula: C68H90N12O3
• Molecular Weight: 1123.55 g/mol
• Exact Mass: 1122.73
• IUPAC Name: N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine
• SMILES: Cc1ccc(CN(C)C[C@H]2Cc3c(cc(Cc4cccnc4CN(C)CC[C@H]4Cc5c(cc(Cc6cc(C)cnc6CN(C)C[C@H]6Cc7c(cccc7N7CCOCC7)CN6)cc5N5CCOCC5)CN4)cc3N3CCOCC3)CN2)nc1
• InChI: InChI=1S/C68H90N12O3/c1-48-11-12-58(70-38-48)43-76(4)44-60-37-63-56(42-73-60)31-50(33-68(63)80-20-26-83-27-21-80)29-52-9-7-14-69-64(52)46-75(3)15-13-57-35-62-55(41-71-57)32-51(34-67(62)79-18-24-82-25-19-79)30-54-28-49(2)39-74-65(54)47-77(5)45-59-36-61-53(40-72-59)8-6-10-66(61)78-16-22-81-23-17-78/h6-12,14,28,31-34,38-39,57,59-60,71-73H,13,15-27,29-30,35-37,40-47H2,1-5H3/t57-,59+,60+/m0/s1
• InChIKey: BUMUVJZXFDFHRU-AOVLOWFZSA-N
• XLogP: 7.01
• TPSA: 121.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1123.55
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine?

The IUPAC name of N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine (CID 146398287) is N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine is Cc1ccc(CN(C)C[C@H]2Cc3c(cc(Cc4cccnc4CN(C)CC[C@H]4Cc5c(cc(Cc6cc(C)cnc6CN(C)C[C@H]6Cc7c(cccc7N7CCOCC7)CN6)cc5N5CCOCC5)CN4)cc3N3CCOCC3)CN2)nc1.

What is the InChIKey of N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine?

The InChIKey is BUMUVJZXFDFHRU-AOVLOWFZSA-N. The full InChI is InChI=1S/C68H90N12O3/c1-48-11-12-58(70-38-48)43-76(4)44-60-37-63-56(42-73-60)31-50(33-68(63)80-20-26-83-27-21-80)29-52-9-7-14-69-64(52)46-75(3)15-13-57-35-62-55(41-71-57)32-51(34-67(62)79-18-24-82-25-19-79)30-54-28-49(2)39-74-65(54)47-77(5)45-59-36-61-53(40-72-59)8-6-10-66(61)78-16-22-81-23-17-78/h6-12,14,28,31-34,38-39,57,59-60,71-73H,13,15-27,29-30,35-37,40-47H2,1-5H3/t57-,59+,60+/m0/s1.

What are the key properties of N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine?

N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 1123.55 g/mol, XLogP of 7.01, 20 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(3R)-7-[[5-methyl-2-[[methyl-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]amino]methyl]-3-pyridinyl]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]-N-[[3-[[(3R)-3-[[methyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 146398287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).