3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one

C14H11BrN4O — CID 15562170

IUPAC3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccccc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN4O/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)17-14(19)18-16/h1-8H,16H2,(H,17,18)
InChIKeySXZBVTDTQFNGGV-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.43
Rot. Bonds2

About 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one

3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one (PubChem CID 15562170) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
PubChem CID15562170
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccccc2c(=O)n1-c1cccc(Br)c1
InChIInChI=1S/C14H11BrN4O/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)17-14(19)18-16/h1-8H,16H2,(H,17,18)
InChIKeySXZBVTDTQFNGGV-UHFFFAOYSA-N
XLogP2.43
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
CID 12845265
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea
CID 10577109
3-(3-aminophenyl)-2-[(4-fluorophenyl)methylamino]quinazolin-4-one
CID 155529993
2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 94830239
3-(3-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
CID 172568153
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one?
The IUPAC name of 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one (CID 15562170) is 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one is NNc1nc2ccccc2c(=O)n1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one?
The InChIKey is SXZBVTDTQFNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)17-14(19)18-16/h1-8H,16H2,(H,17,18).
What are the key properties of 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one?
3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one has a molecular weight of 331.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one is sourced from PubChem (CID 15562170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).