6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol

C22H19N5O — CID 152519081

IUPAC6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol
SMILESCN(C)c1ccc(/N=N/c2ccccc2)c(-c2cc(O)c3ncncc3c2)c1
InChIInChI=1S/C22H19N5O/c1-27(2)18-8-9-20(26-25-17-6-4-3-5-7-17)19(12-18)15-10-16-13-23-14-24-22(16)21(28)11-15/h3-14,28H,1-2H3/b26-25+
InChIKeyYHDLLWCNBNORRS-OCEACIFDSA-N
MW369.43 g/mol
LogP5.48
Rot. Bonds4

About 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol

6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol (PubChem CID 152519081) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol.

Molecular Properties

Compound Name6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol
PubChem CID152519081
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol
SMILESCN(C)c1ccc(/N=N/c2ccccc2)c(-c2cc(O)c3ncncc3c2)c1
InChIInChI=1S/C22H19N5O/c1-27(2)18-8-9-20(26-25-17-6-4-3-5-7-17)19(12-18)15-10-16-13-23-14-24-22(16)21(28)11-15/h3-14,28H,1-2H3/b26-25+
InChIKeyYHDLLWCNBNORRS-OCEACIFDSA-N
XLogP5.48
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol?
The IUPAC name of 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol (CID 152519081) is 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol.
What is the SMILES notation for 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol?
The canonical SMILES for 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol is CN(C)c1ccc(/N=N/c2ccccc2)c(-c2cc(O)c3ncncc3c2)c1.
What is the InChIKey of 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol?
The InChIKey is YHDLLWCNBNORRS-OCEACIFDSA-N. The full InChI is InChI=1S/C22H19N5O/c1-27(2)18-8-9-20(26-25-17-6-4-3-5-7-17)19(12-18)15-10-16-13-23-14-24-22(16)21(28)11-15/h3-14,28H,1-2H3/b26-25+.
What are the key properties of 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol?
6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol has a molecular weight of 369.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dimethylamino)-2-phenyldiazenylphenyl]quinazolin-8-ol is sourced from PubChem (CID 152519081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).