6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one

C14H10Br2N4O — CID 12845265

IUPAC6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
SMILESNNc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10Br2N4O/c15-8-6-10-12(11(16)7-8)18-14(19-17)20(13(10)21)9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19)
InChIKeyLEFBRNDMUZLEFI-UHFFFAOYSA-N
MW410.07 g/mol
LogP3.20
Rot. Bonds2

About 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one

6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one (PubChem CID 12845265) has the molecular formula C14H10Br2N4O and a molecular weight of 410.07 g/mol. Its IUPAC name is 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
PubChem CID12845265
Molecular FormulaC14H10Br2N4O
Molecular Weight410.07 g/mol
Exact Mass407.92
IUPAC Name6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
SMILESNNc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10Br2N4O/c15-8-6-10-12(11(16)7-8)18-14(19-17)20(13(10)21)9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19)
InChIKeyLEFBRNDMUZLEFI-UHFFFAOYSA-N
XLogP3.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 53.20
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'}

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Related Compounds

3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174
6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one
CID 175639893
1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea
CID 46855002
2-hydrazinyl-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 94830239
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
CID 10073329
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 10961859
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
CID 786570
6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
CID 2222928
2,4-dibromo-9-methylacridine
CID 46187619
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one (CID 12845265) is 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one is NNc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one?
The InChIKey is LEFBRNDMUZLEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N4O/c15-8-6-10-12(11(16)7-8)18-14(19-17)20(13(10)21)9-4-2-1-3-5-9/h1-7H,17H2,(H,18,19).
What are the key properties of 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one?
6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one has a molecular weight of 410.07 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 12845265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).