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

C19H14N2O2 — CID 761547

IUPAC5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
SMILESOc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2
InChIKeyFKGLQHRCVKTDFC-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.79
Rot. Bonds2

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

5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol (PubChem CID 761547) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
PubChem CID761547
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol
SMILESOc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2
InChIKeyFKGLQHRCVKTDFC-UHFFFAOYSA-N
XLogP3.79
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol (CID 761547) is 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol is Oc1ccc(Cc2ccc(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol?
The InChIKey is FKGLQHRCVKTDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-16-7-5-12(14-3-1-9-20-18(14)16)11-13-6-8-17(23)19-15(13)4-2-10-21-19/h1-10,22-23H,11H2.
What are the key properties of 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol?
5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol has a molecular weight of 302.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-hydroxyquinolin-5-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 761547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).