2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide

C16H15BrN4O2 — CID 2870271

IUPAC2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C16H15BrN4O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)21(16(23)19-13)9-14(22)20-18/h1-8,15H,9,18H2,(H,19,23)(H,20,22)
InChIKeyVSOAUHZDUJKYCM-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.38
Rot. Bonds3

About 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide

2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide (PubChem CID 2870271) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide
PubChem CID2870271
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide
SMILESNNC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1
InChIInChI=1S/C16H15BrN4O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)21(16(23)19-13)9-14(22)20-18/h1-8,15H,9,18H2,(H,19,23)(H,20,22)
InChIKeyVSOAUHZDUJKYCM-UHFFFAOYSA-N
XLogP2.38
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide?
The IUPAC name of 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide (CID 2870271) is 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide?
The canonical SMILES for 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide is NNC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1.
What is the InChIKey of 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide?
The InChIKey is VSOAUHZDUJKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c17-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)21(16(23)19-13)9-14(22)20-18/h1-8,15H,9,18H2,(H,19,23)(H,20,22).
What are the key properties of 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide?
2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide has a molecular weight of 375.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-oxo-4-phenyl-1,4-dihydroquinazolin-3-yl)acetohydrazide is sourced from PubChem (CID 2870271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).