2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol

C19H13N3O2 — CID 2831982

IUPAC2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol
SMILESOc1c(/N=N/c2ccc3cccc(O)c3n2)ccc2ccccc12
InChIInChI=1S/C19H13N3O2/c23-16-7-3-5-13-9-11-17(20-18(13)16)22-21-15-10-8-12-4-1-2-6-14(12)19(15)24/h1-11,23-24H/b22-21+
InChIKeyMJHPUUCTKLEUEN-QURGRASLSA-N
MW315.33 g/mol
LogP5.21
Rot. Bonds2

About 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol

2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol (PubChem CID 2831982) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol
PubChem CID2831982
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol
SMILESOc1c(/N=N/c2ccc3cccc(O)c3n2)ccc2ccccc12
InChIInChI=1S/C19H13N3O2/c23-16-7-3-5-13-9-11-17(20-18(13)16)22-21-15-10-8-12-4-1-2-6-14(12)19(15)24/h1-11,23-24H/b22-21+
InChIKeyMJHPUUCTKLEUEN-QURGRASLSA-N
XLogP5.21
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.33
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol?
The IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol (CID 2831982) is 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol?
The canonical SMILES for 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol is Oc1c(/N=N/c2ccc3cccc(O)c3n2)ccc2ccccc12.
What is the InChIKey of 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol?
The InChIKey is MJHPUUCTKLEUEN-QURGRASLSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-16-7-3-5-13-9-11-17(20-18(13)16)22-21-15-10-8-12-4-1-2-6-14(12)19(15)24/h1-11,23-24H/b22-21+.
What are the key properties of 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol?
2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol has a molecular weight of 315.33 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalen-2-yl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 2831982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).