N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine

C15H14BrN5 — CID 80912063

IUPACN-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(NCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C15H14BrN5/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyOSCUKKOVUXJBCQ-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.29
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine

N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine (PubChem CID 80912063) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
PubChem CID80912063
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
SMILESNNc1nc(NCc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C15H14BrN5/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyOSCUKKOVUXJBCQ-UHFFFAOYSA-N
XLogP3.29
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.29
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-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 80913958
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
N-(2,3-dimethylbutyl)-2-hydrazinylquinazolin-4-amine
CID 80917863
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)quinazolin-4-amine
CID 102908996
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]quinazolin-4-amine
CID 114702353
N-(2,6-dibromophenyl)-2-hydrazinylquinazolin-4-amine
CID 107604857
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
N-(2-cyclobutylethyl)-2-hydrazinylquinazolin-4-amine
CID 113479557
3-[(2-hydrazinylquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114154625

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine (CID 80912063) is N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine is NNc1nc(NCc2ccc(Br)cc2)c2ccccc2n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
The InChIKey is OSCUKKOVUXJBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c16-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)19-15(20-14)21-17/h1-8H,9,17H2,(H2,18,19,20,21).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine?
N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine has a molecular weight of 344.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine is sourced from PubChem (CID 80912063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).