5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol

C24H16N6O2 — CID 135594047

IUPAC5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c4ncccc34)cc2)c2cccnc12
InChIInChI=1S/C24H16N6O2/c31-21-11-9-19(17-3-1-13-25-23(17)21)29-27-15-5-7-16(8-6-15)28-30-20-10-12-22(32)24-18(20)4-2-14-26-24/h1-14,31-32H/b29-27+,30-28+
InChIKeyPFOJTLZXXOBJKF-QAVVBOBSSA-N
MW420.43 g/mol
LogP7.03
Rot. Bonds4

About 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol

5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol (PubChem CID 135594047) has the molecular formula C24H16N6O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol
PubChem CID135594047
Molecular FormulaC24H16N6O2
Molecular Weight420.43 g/mol
Exact Mass420.13
IUPAC Name5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol
SMILESOc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c4ncccc34)cc2)c2cccnc12
InChIInChI=1S/C24H16N6O2/c31-21-11-9-19(17-3-1-13-25-23(17)21)29-27-15-5-7-16(8-6-15)28-30-20-10-12-22(32)24-18(20)4-2-14-26-24/h1-14,31-32H/b29-27+,30-28+
InChIKeyPFOJTLZXXOBJKF-QAVVBOBSSA-N
XLogP7.03
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol?
The IUPAC name of 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol (CID 135594047) is 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol is Oc1ccc(/N=N/c2ccc(/N=N/c3ccc(O)c4ncccc34)cc2)c2cccnc12.
What is the InChIKey of 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol?
The InChIKey is PFOJTLZXXOBJKF-QAVVBOBSSA-N. The full InChI is InChI=1S/C24H16N6O2/c31-21-11-9-19(17-3-1-13-25-23(17)21)29-27-15-5-7-16(8-6-15)28-30-20-10-12-22(32)24-18(20)4-2-14-26-24/h1-14,31-32H/b29-27+,30-28+.
What are the key properties of 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol?
5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol has a molecular weight of 420.43 g/mol, XLogP of 7.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(8-hydroxyquinolin-5-yl)diazenyl]phenyl]diazenyl]quinolin-8-ol is sourced from PubChem (CID 135594047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).