2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide

C22H16BrN5O2 — CID 26675731

IUPAC2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H16BrN5O2/c23-15-6-11-20-19(12-15)22(30)28(14-24-20)13-21(29)25-16-7-9-18(10-8-16)27-26-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,25,29)/b27-26+
InChIKeyPBBZTBCAGHQXFH-CYYJNZCTSA-N
MW462.31 g/mol
LogP5.21
Rot. Bonds5

About 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 26675731) has the molecular formula C22H16BrN5O2 and a molecular weight of 462.31 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID26675731
Molecular FormulaC22H16BrN5O2
Molecular Weight462.31 g/mol
Exact Mass461.05
IUPAC Name2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H16BrN5O2/c23-15-6-11-20-19(12-15)22(30)28(14-24-20)13-21(29)25-16-7-9-18(10-8-16)27-26-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,25,29)/b27-26+
InChIKeyPBBZTBCAGHQXFH-CYYJNZCTSA-N
XLogP5.21
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.31
LogP ≤ 55.21
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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Related Compounds

N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenylphenyl)propanamide
CID 46580979
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55718262
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 3311632
N-(2-benzylphenyl)-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 30763561
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7886626
butyl 4-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 26675736
2-[2-[[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-methylacetamide
CID 55760929
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 55379284
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide (CID 26675731) is 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide is O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is PBBZTBCAGHQXFH-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H16BrN5O2/c23-15-6-11-20-19(12-15)22(30)28(14-24-20)13-21(29)25-16-7-9-18(10-8-16)27-26-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,25,29)/b27-26+.
What are the key properties of 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide?
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 462.31 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 26675731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).