1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine

C24H28BrN3 — CID 86273341

IUPAC1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28BrN3/c1-3-27(4-2)20-13-15-28(16-14-20)24-17-23(18-9-11-19(25)12-10-18)26-22-8-6-5-7-21(22)24/h5-12,17,20H,3-4,13-16H2,1-2H3
InChIKeyDJEKSVUIDJDTSO-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.97
Rot. Bonds5

About 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine

1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine (PubChem CID 86273341) has the molecular formula C24H28BrN3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
PubChem CID86273341
Molecular FormulaC24H28BrN3
Molecular Weight438.41 g/mol
Exact Mass437.15
IUPAC Name1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H28BrN3/c1-3-27(4-2)20-13-15-28(16-14-20)24-17-23(18-9-11-19(25)12-10-18)26-22-8-6-5-7-21(22)24/h5-12,17,20H,3-4,13-16H2,1-2H3
InChIKeyDJEKSVUIDJDTSO-UHFFFAOYSA-N
XLogP5.97
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine (CID 86273341) is 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(c2cc(-c3ccc(Br)cc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine?
The InChIKey is DJEKSVUIDJDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3/c1-3-27(4-2)20-13-15-28(16-14-20)24-17-23(18-9-11-19(25)12-10-18)26-22-8-6-5-7-21(22)24/h5-12,17,20H,3-4,13-16H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine?
1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine has a molecular weight of 438.41 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 86273341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).