N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine

C14H11Br2N5 — CID 107604857

IUPACN-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2c(Br)cccc2Br)c2ccccc2n1
InChIInChI=1S/C14H11Br2N5/c15-9-5-3-6-10(16)12(9)19-13-8-4-1-2-7-11(8)18-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyPTBBXKHTLMYLBQ-UHFFFAOYSA-N
MW409.09 g/mol
LogP4.18
Rot. Bonds3

About N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine

N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 107604857) has the molecular formula C14H11Br2N5 and a molecular weight of 409.09 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
PubChem CID107604857
Molecular FormulaC14H11Br2N5
Molecular Weight409.09 g/mol
Exact Mass406.94
IUPAC NameN-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(Nc2c(Br)cccc2Br)c2ccccc2n1
InChIInChI=1S/C14H11Br2N5/c15-9-5-3-6-10(16)12(9)19-13-8-4-1-2-7-11(8)18-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21)
InChIKeyPTBBXKHTLMYLBQ-UHFFFAOYSA-N
XLogP4.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 54.18
H-Bond Donors ≤ 53
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

N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
CID 80911781
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
N-(3-chloro-2-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80912686
N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80912063
N-(2-bromo-6-fluorophenyl)-2-chloroquinazolin-4-amine
CID 107602343
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine (CID 107604857) is N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine is NNc1nc(Nc2c(Br)cccc2Br)c2ccccc2n1.
What is the InChIKey of N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is PTBBXKHTLMYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N5/c15-9-5-3-6-10(16)12(9)19-13-8-4-1-2-7-11(8)18-14(20-13)21-17/h1-7H,17H2,(H2,18,19,20,21).
What are the key properties of N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine?
N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine has a molecular weight of 409.09 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 107604857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).