N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine

C24H16BrN3 — CID 58121646

IUPACN-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine
SMILESBrc1ccc(N(c2ccc3ccccc3n2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-11-13-20(14-12-19)28(23-15-9-17-5-1-3-7-21(17)26-23)24-16-10-18-6-2-4-8-22(18)27-24/h1-16H
InChIKeyLITQMYHUXBWQJT-UHFFFAOYSA-N
MW426.32 g/mol
LogP7.02
Rot. Bonds3

About N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine

N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine (PubChem CID 58121646) has the molecular formula C24H16BrN3 and a molecular weight of 426.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine
PubChem CID58121646
Molecular FormulaC24H16BrN3
Molecular Weight426.32 g/mol
Exact Mass425.05
IUPAC NameN-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine
SMILESBrc1ccc(N(c2ccc3ccccc3n2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H16BrN3/c25-19-11-13-20(14-12-19)28(23-15-9-17-5-1-3-7-21(17)26-23)24-16-10-18-6-2-4-8-22(18)27-24/h1-16H
InChIKeyLITQMYHUXBWQJT-UHFFFAOYSA-N
XLogP7.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.32
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine?
The IUPAC name of N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine (CID 58121646) is N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine is Brc1ccc(N(c2ccc3ccccc3n2)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine?
The InChIKey is LITQMYHUXBWQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3/c25-19-11-13-20(14-12-19)28(23-15-9-17-5-1-3-7-21(17)26-23)24-16-10-18-6-2-4-8-22(18)27-24/h1-16H.
What are the key properties of N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine?
N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine has a molecular weight of 426.32 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-quinolin-2-ylquinolin-2-amine is sourced from PubChem (CID 58121646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).