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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Related Compounds

acetaldehyde;N,N-diethyl-1-(2-phenylquinolin-4-yl)piperidin-4-amine;1-(2-phenylquinolin-4-yl)piperidin-4-amine;dihydrochloride
CID 158002646
1-(7-chloro-2-phenylquinolin-4-yl)-N,N-diethylpiperidin-4-amine
CID 86273339
ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
CID 122554547
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206525
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409

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).