N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine

C15H14BrN5 — CID 80911781

IUPACN-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
SMILESCc1cc(Nc2nc(NN)nc3ccccc23)ccc1Br
InChIInChI=1S/C15H14BrN5/c1-9-8-10(6-7-12(9)16)18-14-11-4-2-3-5-13(11)19-15(20-14)21-17/h2-8H,17H2,1H3,(H2,18,19,20,21)
InChIKeyGETRMPCQFXPMQU-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.73
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine

N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine (PubChem CID 80911781) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
PubChem CID80911781
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine
SMILESCc1cc(Nc2nc(NN)nc3ccccc23)ccc1Br
InChIInChI=1S/C15H14BrN5/c1-9-8-10(6-7-12(9)16)18-14-11-4-2-3-5-13(11)19-15(20-14)21-17/h2-8H,17H2,1H3,(H2,18,19,20,21)
InChIKeyGETRMPCQFXPMQU-UHFFFAOYSA-N
XLogP3.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.73
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'}

Analyze N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine 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

N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
CID 107604857
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
CID 80843172
4-N-(3-fluoro-4-methylphenyl)-2-N-methylquinazoline-2,4-diamine
CID 80750621
N-(3-chloro-5-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 107371204
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine (CID 80911781) is N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine is Cc1cc(Nc2nc(NN)nc3ccccc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine?
The InChIKey is GETRMPCQFXPMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-9-8-10(6-7-12(9)16)18-14-11-4-2-3-5-13(11)19-15(20-14)21-17/h2-8H,17H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine?
N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine has a molecular weight of 344.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80911781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).