N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine

C22H18BrN3 — CID 69222573

IUPACN-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
SMILESBrc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H18BrN3/c23-18-12-10-16(11-13-18)14-15-24-22-19-8-4-5-9-20(19)25-21(26-22)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25,26)
InChIKeyDDGBYQZXPUSZTF-UHFFFAOYSA-N
MW404.31 g/mol
LogP5.71
Rot. Bonds5

About N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine

N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine (PubChem CID 69222573) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
PubChem CID69222573
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
SMILESBrc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C22H18BrN3/c23-18-12-10-16(11-13-18)14-15-24-22-19-8-4-5-9-20(19)25-21(26-22)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25,26)
InChIKeyDDGBYQZXPUSZTF-UHFFFAOYSA-N
XLogP5.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine (CID 69222573) is N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine is Brc1ccc(CCNc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine?
The InChIKey is DDGBYQZXPUSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c23-18-12-10-16(11-13-18)14-15-24-22-19-8-4-5-9-20(19)25-21(26-22)17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,25,26).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine?
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine has a molecular weight of 404.31 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 69222573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).