2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide

C17H17BrN4O — CID 2870196

IUPAC2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN
InChIInChI=1S/C17H17BrN4O/c1-11-20-15-8-7-13(18)9-14(15)17(12-5-3-2-4-6-12)22(11)10-16(23)21-19/h2-9,17H,10,19H2,1H3,(H,21,23)
InChIKeyDDSZTCDLYPIRAN-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.89
Rot. Bonds3

About 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide

2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide (PubChem CID 2870196) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
PubChem CID2870196
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide
SMILESCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN
InChIInChI=1S/C17H17BrN4O/c1-11-20-15-8-7-13(18)9-14(15)17(12-5-3-2-4-6-12)22(11)10-16(23)21-19/h2-9,17H,10,19H2,1H3,(H,21,23)
InChIKeyDDSZTCDLYPIRAN-UHFFFAOYSA-N
XLogP2.89
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide (CID 2870196) is 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide is CC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)NN.
What is the InChIKey of 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
The InChIKey is DDSZTCDLYPIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-11-20-15-8-7-13(18)9-14(15)17(12-5-3-2-4-6-12)22(11)10-16(23)21-19/h2-9,17H,10,19H2,1H3,(H,21,23).
What are the key properties of 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide?
2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide has a molecular weight of 373.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-4-phenyl-4H-quinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 2870196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).