2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one

C20H14N4O2 — CID 135697144

IUPAC2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Oc2ccc(/N=N/c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C20H14N4O2/c25-19-17-8-4-5-9-18(17)21-20(22-19)26-16-12-10-15(11-13-16)24-23-14-6-2-1-3-7-14/h1-13H,(H,21,22,25)/b24-23+
InChIKeyWYERXZSCRJYECB-WCWDXBQESA-N
MW342.36 g/mol
LogP5.13
Rot. Bonds4

About 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one

2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one (PubChem CID 135697144) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one
PubChem CID135697144
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one
SMILESO=c1[nH]c(Oc2ccc(/N=N/c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C20H14N4O2/c25-19-17-8-4-5-9-18(17)21-20(22-19)26-16-12-10-15(11-13-16)24-23-14-6-2-1-3-7-14/h1-13H,(H,21,22,25)/b24-23+
InChIKeyWYERXZSCRJYECB-WCWDXBQESA-N
XLogP5.13
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-3H-quinazolin-4-one
CID 136999718
2-(1-phenyldiazenylethyl)-3H-quinazolin-4-one
CID 137154926
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[4-amino-3-(phenyliminomethyl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137222571
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[4-(1,3-dihydroisoindol-2-yl)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953399
2-(pentafluoro-λ6-sulfanyl)-3H-quinazolin-4-one
CID 175691752
2-[4-[(3-methoxyphenyl)methyl]phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 145046641
2-[4-(4-methylanilino)phenoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136953216
2-(4-pyrazin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168553040
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
(4-oxo-3H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate
CID 135729671

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one (CID 135697144) is 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one is O=c1[nH]c(Oc2ccc(/N=N/c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one?
The InChIKey is WYERXZSCRJYECB-WCWDXBQESA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19-17-8-4-5-9-18(17)21-20(22-19)26-16-12-10-15(11-13-16)24-23-14-6-2-1-3-7-14/h1-13H,(H,21,22,25)/b24-23+.
What are the key properties of 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one?
2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one has a molecular weight of 342.36 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyldiazenylphenoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 135697144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).