3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione

C56H65FN8O4 — CID 177354911

IUPAC3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
SMILESCNc1ccc(-c2ccnc3c2C=C(C(C)N2CC=C(c4c(C)cc(C(=O)N5CCC(CC6CCN(c7ccc8c(c7)CCC(=O)N8C7CCC(=O)NC7=O)CC6)CC5)cc4F)CC2)C(C)C3)cn1
InChIInChI=1S/C56H65FN8O4/c1-34-28-48-46(44(13-20-59-48)41-5-10-51(58-4)60-33-41)32-45(34)36(3)62-25-18-39(19-26-62)54-35(2)27-42(31-47(54)57)56(69)64-23-16-38(17-24-64)29-37-14-21-63(22-15-37)43-7-8-49-40(30-43)6-12-53(67)65(49)50-9-11-52(66)61-55(50)68/h5,7-8,10,13,18,20,27,30-34,36-38,50H,6,9,11-12,14-17,19,21-26,28-29H2,1-4H3,(H,58,60)(H,61,66,68)
InChIKeyXYQWVHMZXBJFJW-UHFFFAOYSA-N
MW933.19 g/mol
LogP8.63
Rot. Bonds10

About 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione

3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione (PubChem CID 177354911) has the molecular formula C56H65FN8O4 and a molecular weight of 933.19 g/mol. Its IUPAC name is 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
PubChem CID177354911
Molecular FormulaC56H65FN8O4
Molecular Weight933.19 g/mol
Exact Mass932.51
IUPAC Name3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione
SMILESCNc1ccc(-c2ccnc3c2C=C(C(C)N2CC=C(c4c(C)cc(C(=O)N5CCC(CC6CCN(c7ccc8c(c7)CCC(=O)N8C7CCC(=O)NC7=O)CC6)CC5)cc4F)CC2)C(C)C3)cn1
InChIInChI=1S/C56H65FN8O4/c1-34-28-48-46(44(13-20-59-48)41-5-10-51(58-4)60-33-41)32-45(34)36(3)62-25-18-39(19-26-62)54-35(2)27-42(31-47(54)57)56(69)64-23-16-38(17-24-64)29-37-14-21-63(22-15-37)43-7-8-49-40(30-43)6-12-53(67)65(49)50-9-11-52(66)61-55(50)68/h5,7-8,10,13,18,20,27,30-34,36-38,50H,6,9,11-12,14-17,19,21-26,28-29H2,1-4H3,(H,58,60)(H,61,66,68)
InChIKeyXYQWVHMZXBJFJW-UHFFFAOYSA-N
XLogP8.63
TPSA131.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.19
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione (CID 177354911) is 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione is CNc1ccc(-c2ccnc3c2C=C(C(C)N2CC=C(c4c(C)cc(C(=O)N5CCC(CC6CCN(c7ccc8c(c7)CCC(=O)N8C7CCC(=O)NC7=O)CC6)CC5)cc4F)CC2)C(C)C3)cn1.
What is the InChIKey of 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
The InChIKey is XYQWVHMZXBJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H65FN8O4/c1-34-28-48-46(44(13-20-59-48)41-5-10-51(58-4)60-33-41)32-45(34)36(3)62-25-18-39(19-26-62)54-35(2)27-42(31-47(54)57)56(69)64-23-16-38(17-24-64)29-37-14-21-63(22-15-37)43-7-8-49-40(30-43)6-12-53(67)65(49)50-9-11-52(66)61-55(50)68/h5,7-8,10,13,18,20,27,30-34,36-38,50H,6,9,11-12,14-17,19,21-26,28-29H2,1-4H3,(H,58,60)(H,61,66,68).
What are the key properties of 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione?
3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione has a molecular weight of 933.19 g/mol, XLogP of 8.63, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[[1-[3-fluoro-5-methyl-4-[1-[1-[7-methyl-4-[6-(methylamino)-3-pyridinyl]-7,8-dihydroquinolin-6-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzoyl]piperidin-4-yl]methyl]piperidin-1-yl]-2-oxo-3,4-dihydroquinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177354911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).