5-[(dibenzylamino)methyl]quinolin-8-ol

C24H22N2O — CID 45112795

IUPAC5-[(dibenzylamino)methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C24H22N2O/c27-23-14-13-21(22-12-7-15-25-24(22)23)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15,27H,16-18H2
InChIKeyDISBNKCTXWTEDQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.14
Rot. Bonds6

About 5-[(dibenzylamino)methyl]quinolin-8-ol

5-[(dibenzylamino)methyl]quinolin-8-ol (PubChem CID 45112795) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[(dibenzylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(dibenzylamino)methyl]quinolin-8-ol
PubChem CID45112795
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-[(dibenzylamino)methyl]quinolin-8-ol
SMILESOc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C24H22N2O/c27-23-14-13-21(22-12-7-15-25-24(22)23)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15,27H,16-18H2
InChIKeyDISBNKCTXWTEDQ-UHFFFAOYSA-N
XLogP5.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(dibenzylamino)methyl]quinolin-8-ol?
The IUPAC name of 5-[(dibenzylamino)methyl]quinolin-8-ol (CID 45112795) is 5-[(dibenzylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(dibenzylamino)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(dibenzylamino)methyl]quinolin-8-ol is Oc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c2cccnc12.
What is the InChIKey of 5-[(dibenzylamino)methyl]quinolin-8-ol?
The InChIKey is DISBNKCTXWTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-23-14-13-21(22-12-7-15-25-24(22)23)18-26(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-15,27H,16-18H2.
What are the key properties of 5-[(dibenzylamino)methyl]quinolin-8-ol?
5-[(dibenzylamino)methyl]quinolin-8-ol has a molecular weight of 354.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibenzylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 45112795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).