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

C41H54N6O2 — CID 155807231

IUPAC5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCC(N3CCCCC3)CC2)cc(Cc2cc(CN3CCC(N4CCCCC4)CC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C41H54N6O2/c48-40-32(28-44-21-11-34(12-22-44)46-17-3-1-4-18-46)26-30(36-9-7-15-42-38(36)40)25-31-27-33(41(49)39-37(31)10-8-16-43-39)29-45-23-13-35(14-24-45)47-19-5-2-6-20-47/h7-10,15-16,26-27,34-35,48-49H,1-6,11-14,17-25,28-29H2
InChIKeyAIIYOMHOSBKINL-UHFFFAOYSA-N
MW662.92 g/mol
LogP6.69
Rot. Bonds8

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

5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol (PubChem CID 155807231) has the molecular formula C41H54N6O2 and a molecular weight of 662.92 g/mol. Its IUPAC name is 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol
PubChem CID155807231
Molecular FormulaC41H54N6O2
Molecular Weight662.92 g/mol
Exact Mass662.43
IUPAC Name5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(CN2CCC(N3CCCCC3)CC2)cc(Cc2cc(CN3CCC(N4CCCCC4)CC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C41H54N6O2/c48-40-32(28-44-21-11-34(12-22-44)46-17-3-1-4-18-46)26-30(36-9-7-15-42-38(36)40)25-31-27-33(41(49)39-37(31)10-8-16-43-39)29-45-23-13-35(14-24-45)47-19-5-2-6-20-47/h7-10,15-16,26-27,34-35,48-49H,1-6,11-14,17-25,28-29H2
InChIKeyAIIYOMHOSBKINL-UHFFFAOYSA-N
XLogP6.69
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.92
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol (CID 155807231) is 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol is Oc1c(CN2CCC(N3CCCCC3)CC2)cc(Cc2cc(CN3CCC(N4CCCCC4)CC3)c(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is AIIYOMHOSBKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N6O2/c48-40-32(28-44-21-11-34(12-22-44)46-17-3-1-4-18-46)26-30(36-9-7-15-42-38(36)40)25-31-27-33(41(49)39-37(31)10-8-16-43-39)29-45-23-13-35(14-24-45)47-19-5-2-6-20-47/h7-10,15-16,26-27,34-35,48-49H,1-6,11-14,17-25,28-29H2.
What are the key properties of 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol?
5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 662.92 g/mol, XLogP of 6.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 155807231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).