5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol

C26H28N4O2 — CID 45112673

IUPAC5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(CCN2CCCC2)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C26H28N4O2/c31-23-9-7-19(21-5-3-11-27-25(21)23)17-30(16-15-29-13-1-2-14-29)18-20-8-10-24(32)26-22(20)6-4-12-28-26/h3-12,31-32H,1-2,13-18H2
InChIKeyVHNLDCHQRMRUFO-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.29
Rot. Bonds7

About 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol

5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol (PubChem CID 45112673) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol
PubChem CID45112673
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol
SMILESOc1ccc(CN(CCN2CCCC2)Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C26H28N4O2/c31-23-9-7-19(21-5-3-11-27-25(21)23)17-30(16-15-29-13-1-2-14-29)18-20-8-10-24(32)26-22(20)6-4-12-28-26/h3-12,31-32H,1-2,13-18H2
InChIKeyVHNLDCHQRMRUFO-UHFFFAOYSA-N
XLogP4.29
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol (CID 45112673) is 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol is Oc1ccc(CN(CCN2CCCC2)Cc2ccc(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol?
The InChIKey is VHNLDCHQRMRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-23-9-7-19(21-5-3-11-27-25(21)23)17-30(16-15-29-13-1-2-14-29)18-20-8-10-24(32)26-22(20)6-4-12-28-26/h3-12,31-32H,1-2,13-18H2.
What are the key properties of 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol?
5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol has a molecular weight of 428.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-hydroxyquinolin-5-yl)methyl-(2-pyrrolidin-1-ylethyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 45112673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).