5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol

C30H24N4O3 — CID 45112799

IUPAC5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C30H24N4O3/c35-25-10-7-19(22-4-1-13-31-28(22)25)16-34(17-20-8-11-26(36)29-23(20)5-2-14-32-29)18-21-9-12-27(37)30-24(21)6-3-15-33-30/h1-15,35-37H,16-18H2
InChIKeyMXHCDEPUZBHJHG-UHFFFAOYSA-N
MW488.55 g/mol
LogP5.65
Rot. Bonds6

About 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol

5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 45112799) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol
PubChem CID45112799
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C30H24N4O3/c35-25-10-7-19(22-4-1-13-31-28(22)25)16-34(17-20-8-11-26(36)29-23(20)5-2-14-32-29)18-21-9-12-27(37)30-24(21)6-3-15-33-30/h1-15,35-37H,16-18H2
InChIKeyMXHCDEPUZBHJHG-UHFFFAOYSA-N
XLogP5.65
TPSA102.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
5-Methyl-8-hydroxyquinoline
CID 71208
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
5-(N-methyl-N-propargylaminomethyl)-8-hydroxyquinoline
CID 6918822
Khinozol
CID 8639
Indium In-111 Oxyquinoline
CID 119117
5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
5-(Hydroxymethyl)quinolin-8-ol
CID 675786
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874

Frequently Asked Questions

What is the IUPAC name of 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol (CID 45112799) is 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol is Oc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is MXHCDEPUZBHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c35-25-10-7-19(22-4-1-13-31-28(22)25)16-34(17-20-8-11-26(36)29-23(20)5-2-14-32-29)18-21-9-12-27(37)30-24(21)6-3-15-33-30/h1-15,35-37H,16-18H2.
What are the key properties of 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol?
5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 488.55 g/mol, XLogP of 5.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis[(8-hydroxyquinolin-5-yl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 45112799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).