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

C78H105N15O4 — CID 146398671

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

N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide (PubChem CID 146398671) has the molecular formula C78H105N15O4 and a molecular weight of 1316.80 g/mol. Its IUPAC name is N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

• Compound Name: N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
• PubChem CID: 146398671
• Molecular Formula: C78H105N15O4
• Molecular Weight: 1316.80 g/mol
• Exact Mass: 1315.85
• IUPAC Name: N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide
• SMILES: CN(C[C@H]1Cc2c(cc(C3CC[C@H](N(C)C[C@@H]4Cc5c(cc(-c6ccnc7c6CCC[C@@H]7N(C)C[C@H]6Cc7c(cccc7NC(=O)CN7CCOCC7)CN6)cc5NCCN5CCOCC5)CN4)c4ncccc43)cc2NCCN2CCOCC2)CN1)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C78H105N15O4/c1-88(72-15-5-9-53-11-7-20-81-76(53)72)49-60-44-67-57(47-85-60)39-55(41-70(67)79-23-25-91-27-33-95-34-28-91)62-17-18-74(78-65(62)13-8-21-82-78)90(3)51-61-45-68-58(48-86-61)40-56(42-71(68)80-24-26-92-29-35-96-36-30-92)63-19-22-83-77-64(63)12-6-16-73(77)89(2)50-59-43-66-54(46-84-59)10-4-14-69(66)87-75(94)52-93-31-37-97-38-32-93/h4,7-8,10-11,13-14,19-22,39-42,59-62,72-74,79-80,84-86H,5-6,9,12,15-18,23-38,43-52H2,1-3H3,(H,87,94)/t59-,60-,61+,62?,72+,73+,74+/m1/s1
• InChIKey: RXRWMXKJQCQVDA-YYIWAMOOSA-N
• XLogP: 7.96
• TPSA: 175.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1316.80
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide (CID 146398671) is N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide.

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

The canonical SMILES for N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide is CN(C[C@H]1Cc2c(cc(C3CC[C@H](N(C)C[C@@H]4Cc5c(cc(-c6ccnc7c6CCC[C@@H]7N(C)C[C@H]6Cc7c(cccc7NC(=O)CN7CCOCC7)CN6)cc5NCCN5CCOCC5)CN4)c4ncccc43)cc2NCCN2CCOCC2)CN1)[C@H]1CCCc2cccnc21.

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

The InChIKey is RXRWMXKJQCQVDA-YYIWAMOOSA-N. The full InChI is InChI=1S/C78H105N15O4/c1-88(72-15-5-9-53-11-7-20-81-76(53)72)49-60-44-67-57(47-85-60)39-55(41-70(67)79-23-25-91-27-33-95-34-28-91)62-17-18-74(78-65(62)13-8-21-82-78)90(3)51-61-45-68-58(48-86-61)40-56(42-71(68)80-24-26-92-29-35-96-36-30-92)63-19-22-83-77-64(63)12-6-16-73(77)89(2)50-59-43-66-54(46-84-59)10-4-14-69(66)87-75(94)52-93-31-37-97-38-32-93/h4,7-8,10-11,13-14,19-22,39-42,59-62,72-74,79-80,84-86H,5-6,9,12,15-18,23-38,43-52H2,1-3H3,(H,87,94)/t59-,60-,61+,62?,72+,73+,74+/m1/s1.

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

N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide has a molecular weight of 1316.80 g/mol, XLogP of 7.96, 22 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-3-[[methyl-[(8S)-4-[(3S)-3-[[methyl-[(8S)-5-[(3R)-3-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-5-(2-morpholin-4-ylethylamino)-1,2,3,4-tetrahydroisoquinolin-7-yl]-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 146398671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).