5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol

C39H50N6O4 — CID 155815081

IUPAC5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCC(N3CCOCC3)CC2)cc(Cc2cc(CN3CCC(N4CCOCC4)CC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C39H50N6O4/c46-38-30(26-42-11-5-32(6-12-42)44-15-19-48-20-16-44)24-28(34-3-1-9-40-36(34)38)23-29-25-31(39(47)37-35(29)4-2-10-41-37)27-43-13-7-33(8-14-43)45-17-21-49-22-18-45/h1-4,9-10,24-25,32-33,46-47H,5-8,11-23,26-27H2
InChIKeyVOBPUGIZLFJMNP-UHFFFAOYSA-N
MW666.87 g/mol
LogP4.38
Rot. Bonds8

About 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol

5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol (PubChem CID 155815081) has the molecular formula C39H50N6O4 and a molecular weight of 666.87 g/mol. Its IUPAC name is 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol
PubChem CID155815081
Molecular FormulaC39H50N6O4
Molecular Weight666.87 g/mol
Exact Mass666.39
IUPAC Name5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCC(N3CCOCC3)CC2)cc(Cc2cc(CN3CCC(N4CCOCC4)CC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C39H50N6O4/c46-38-30(26-42-11-5-32(6-12-42)44-15-19-48-20-16-44)24-28(34-3-1-9-40-36(34)38)23-29-25-31(39(47)37-35(29)4-2-10-41-37)27-43-13-7-33(8-14-43)45-17-21-49-22-18-45/h1-4,9-10,24-25,32-33,46-47H,5-8,11-23,26-27H2
InChIKeyVOBPUGIZLFJMNP-UHFFFAOYSA-N
XLogP4.38
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.87
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol 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 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol (CID 155815081) is 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol is Oc1c(CN2CCC(N3CCOCC3)CC2)cc(Cc2cc(CN3CCC(N4CCOCC4)CC3)c(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is VOBPUGIZLFJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50N6O4/c46-38-30(26-42-11-5-32(6-12-42)44-15-19-48-20-16-44)24-28(34-3-1-9-40-36(34)38)23-29-25-31(39(47)37-35(29)4-2-10-41-37)27-43-13-7-33(8-14-43)45-17-21-49-22-18-45/h1-4,9-10,24-25,32-33,46-47H,5-8,11-23,26-27H2.
What are the key properties of 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol?
5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 666.87 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 155815081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).