2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol

C18H13N3O2 — CID 918924

IUPAC2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
SMILESOc1cccc2ccc(Nc3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C18H13N3O2/c22-13-5-1-3-11-7-9-15(20-17(11)13)19-16-10-8-12-4-2-6-14(23)18(12)21-16/h1-10,22-23H,(H,19,20,21)
InChIKeyXODXDUUPXGKMFO-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.94
Rot. Bonds2

About 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol

2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol (PubChem CID 918924) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol.

Molecular Properties

Compound Name2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
PubChem CID918924
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol
SMILESOc1cccc2ccc(Nc3ccc4cccc(O)c4n3)nc12
InChIInChI=1S/C18H13N3O2/c22-13-5-1-3-11-7-9-15(20-17(11)13)19-16-10-8-12-4-2-6-14(23)18(12)21-16/h1-10,22-23H,(H,19,20,21)
InChIKeyXODXDUUPXGKMFO-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The IUPAC name of 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol (CID 918924) is 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol.
What is the SMILES notation for 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The canonical SMILES for 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol is Oc1cccc2ccc(Nc3ccc4cccc(O)c4n3)nc12.
What is the InChIKey of 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
The InChIKey is XODXDUUPXGKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-13-5-1-3-11-7-9-15(20-17(11)13)19-16-10-8-12-4-2-6-14(23)18(12)21-16/h1-10,22-23H,(H,19,20,21).
What are the key properties of 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol?
2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol has a molecular weight of 303.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-hydroxyquinolin-2-yl)amino]quinolin-8-ol is sourced from PubChem (CID 918924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).