2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide

C22H19BrN4O — CID 2870396

IUPAC2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESNNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C22H19BrN4O/c23-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)27(14-20(28)26-24)22(25-19)16-9-5-2-6-10-16/h1-13,21H,14,24H2,(H,26,28)
InChIKeyAOJJIRRQWWRDIX-UHFFFAOYSA-N
MW435.33 g/mol
LogP3.92
Rot. Bonds4

About 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide

2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide (PubChem CID 2870396) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide
PubChem CID2870396
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESNNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C22H19BrN4O/c23-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)27(14-20(28)26-24)22(25-19)16-9-5-2-6-10-16/h1-13,21H,14,24H2,(H,26,28)
InChIKeyAOJJIRRQWWRDIX-UHFFFAOYSA-N
XLogP3.92
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Gidazepam
CID 121919
[6-Bromo-2-(3-chloro-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 2870351
2-(6-Bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetohydrazide
CID 2870196
[6-Bromo-2-(4-bromo-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 3119177
[6-Bromo-2-(4-chloro-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 3119178
N'-Acetyl-2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetohydrazide
CID 627086
{[(2-Amino-5-bromo-phenyl)-phenyl-methyl]-amino}-acetic acid hydrazide
CID 2870320
[6-Bromo-2-(2-bromo-phenyl)-4-phenyl-4H-quinazolin-3-yl]-acetic acid hydrazide
CID 4358566
2-(6-bromo-2-(morpholinomethyl)-4-phenylquinazolin-3(4H)-yl)acetohydrazide
CID 2870407
9-bromo-11-phenyl-3,4,5,11-tetrahydro[1,4]diazepino[7,1-b]quinazolin-2(1H)-one
CID 3515999
8-bromo-6-phenyl-1,6-dihydro-4H-pyrazino[2,1-b]quinazolin-3-ol
CID 2874741
2-(6-bromo-2-ethyl-4-phenylquinazolin-3(4H)-yl)acetohydrazide
CID 2870268

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide (CID 2870396) is 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide is NNC(=O)CN1C(c2ccccc2)=Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide?
The InChIKey is AOJJIRRQWWRDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-17-11-12-19-18(13-17)21(15-7-3-1-4-8-15)27(14-20(28)26-24)22(25-19)16-9-5-2-6-10-16/h1-13,21H,14,24H2,(H,26,28).
What are the key properties of 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide?
2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide has a molecular weight of 435.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,4-diphenyl-4H-quinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 2870396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).