8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde

C16H11N3O2 — CID 135404716

IUPAC8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2)c2cccnc2c1O
InChIInChI=1S/C16H11N3O2/c20-10-11-9-14(19-18-12-5-2-1-3-6-12)13-7-4-8-17-15(13)16(11)21/h1-10,21H/b19-18+
InChIKeyLDJUPPLDIHJKSS-VHEBQXMUSA-N
MW277.28 g/mol
LogP4.17
Rot. Bonds3

About 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde

8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde (PubChem CID 135404716) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde.

Molecular Properties

Compound Name8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
PubChem CID135404716
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde
SMILESO=Cc1cc(/N=N/c2ccccc2)c2cccnc2c1O
InChIInChI=1S/C16H11N3O2/c20-10-11-9-14(19-18-12-5-2-1-3-6-12)13-7-4-8-17-15(13)16(11)21/h1-10,21H/b19-18+
InChIKeyLDJUPPLDIHJKSS-VHEBQXMUSA-N
XLogP4.17
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde?
The IUPAC name of 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde (CID 135404716) is 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde.
What is the SMILES notation for 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde?
The canonical SMILES for 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde is O=Cc1cc(/N=N/c2ccccc2)c2cccnc2c1O.
What is the InChIKey of 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde?
The InChIKey is LDJUPPLDIHJKSS-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-10-11-9-14(19-18-12-5-2-1-3-6-12)13-7-4-8-17-15(13)16(11)21/h1-10,21H/b19-18+.
What are the key properties of 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde?
8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde has a molecular weight of 277.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-phenyldiazenylquinoline-7-carbaldehyde is sourced from PubChem (CID 135404716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).