5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol

C35H36N6O3 — CID 122231612

IUPAC5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol
SMILESCC(CNCc1ccc(O)c2ncccc12)(CNCc1ccc(O)c2ncccc12)CNCc1ccc(O)c2ncccc12
InChIInChI=1S/C35H36N6O3/c1-35(20-36-17-23-8-11-29(42)32-26(23)5-2-14-39-32,21-37-18-24-9-12-30(43)33-27(24)6-3-15-40-33)22-38-19-25-10-13-31(44)34-28(25)7-4-16-41-34/h2-16,36-38,42-44H,17-22H2,1H3
InChIKeyJUVSMKUAXSFBIX-UHFFFAOYSA-N
MW588.71 g/mol
LogP5.12
Rot. Bonds12

About 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol

5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol (PubChem CID 122231612) has the molecular formula C35H36N6O3 and a molecular weight of 588.71 g/mol. Its IUPAC name is 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol
PubChem CID122231612
Molecular FormulaC35H36N6O3
Molecular Weight588.71 g/mol
Exact Mass588.28
IUPAC Name5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol
SMILESCC(CNCc1ccc(O)c2ncccc12)(CNCc1ccc(O)c2ncccc12)CNCc1ccc(O)c2ncccc12
InChIInChI=1S/C35H36N6O3/c1-35(20-36-17-23-8-11-29(42)32-26(23)5-2-14-39-32,21-37-18-24-9-12-30(43)33-27(24)6-3-15-40-33)22-38-19-25-10-13-31(44)34-28(25)7-4-16-41-34/h2-16,36-38,42-44H,17-22H2,1H3
InChIKeyJUVSMKUAXSFBIX-UHFFFAOYSA-N
XLogP5.12
TPSA135.45 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 55.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol with MolForge

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Related Compounds

Hydroxyquinoline sulfate
CID 517000
5-Methyl-8-hydroxyquinoline
CID 71208
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Khinozol
CID 8639
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
Indium In-111 Oxyquinoline
CID 119117
5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
Hla-20
CID 6918819
Unii-8KG95Q2dqh
CID 25268906
(+)-4-(4-(2-((7-Hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)piperazine-1-yl)-quinolin-8-ol
CID 45140376
5-(Anilinomethyl)quinolin-8-ol
CID 644901

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol (CID 122231612) is 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol is CC(CNCc1ccc(O)c2ncccc12)(CNCc1ccc(O)c2ncccc12)CNCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol?
The InChIKey is JUVSMKUAXSFBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O3/c1-35(20-36-17-23-8-11-29(42)32-26(23)5-2-14-39-32,21-37-18-24-9-12-30(43)33-27(24)6-3-15-40-33)22-38-19-25-10-13-31(44)34-28(25)7-4-16-41-34/h2-16,36-38,42-44H,17-22H2,1H3.
What are the key properties of 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol?
5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol has a molecular weight of 588.71 g/mol, XLogP of 5.12, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-[(8-hydroxyquinolin-5-yl)methylamino]-2-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]-2-methylpropyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 122231612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).