5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol

C28H25N3O2 — CID 25268549

IUPAC5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
SMILESCc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-19-6-8-20(9-7-19)16-31(17-21-10-12-25(32)27-23(21)4-2-14-29-27)18-22-11-13-26(33)28-24(22)5-3-15-30-28/h2-15,32-33H,16-18H2,1H3
InChIKeyJUTVCEPDUKZIQE-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.71
Rot. Bonds6

About 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol

5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol (PubChem CID 25268549) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
PubChem CID25268549
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
SMILESCc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-19-6-8-20(9-7-19)16-31(17-21-10-12-25(32)27-23(21)4-2-14-29-27)18-22-11-13-26(33)28-24(22)5-3-15-30-28/h2-15,32-33H,16-18H2,1H3
InChIKeyJUTVCEPDUKZIQE-UHFFFAOYSA-N
XLogP5.71
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol?
The IUPAC name of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol (CID 25268549) is 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol?
The canonical SMILES for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol is Cc1ccc(CN(Cc2ccc(O)c3ncccc23)Cc2ccc(O)c3ncccc23)cc1.
What is the InChIKey of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol?
The InChIKey is JUTVCEPDUKZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-19-6-8-20(9-7-19)16-31(17-21-10-12-25(32)27-23(21)4-2-14-29-27)18-22-11-13-26(33)28-24(22)5-3-15-30-28/h2-15,32-33H,16-18H2,1H3.
What are the key properties of 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol?
5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol has a molecular weight of 435.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(8-hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol is sourced from PubChem (CID 25268549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).