2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide

C23H28BrN3O — CID 45051431

IUPAC2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
SMILESBr.COc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O.BrH/c1-27-19-11-9-18(10-12-19)22-17-23(20-7-3-4-8-21(20)25-22)24-13-16-26-14-5-2-6-15-26;/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,24,25);1H
InChIKeyYRXNXJMYYXMKCF-UHFFFAOYSA-N
MW442.40 g/mol
LogP5.39
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide

2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide (PubChem CID 45051431) has the molecular formula C23H28BrN3O and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
PubChem CID45051431
Molecular FormulaC23H28BrN3O
Molecular Weight442.40 g/mol
Exact Mass441.14
IUPAC Name2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
SMILESBr.COc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H27N3O.BrH/c1-27-19-11-9-18(10-12-19)22-17-23(20-7-3-4-8-21(20)25-22)24-13-16-26-14-5-2-6-15-26;/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,24,25);1H
InChIKeyYRXNXJMYYXMKCF-UHFFFAOYSA-N
XLogP5.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 73050865
6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176502985
N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
CID 146475702
7-N-[2-(4-methoxyphenyl)quinolin-4-yl]-1-N,4-N-dimethylheptane-1,4,7-triamine;trihydrochloride
CID 175783539
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
N-[3-[3-[[2-(4-methoxyphenyl)quinolin-4-yl]amino]propyl-methylamino]propyl]acetamide
CID 175783587
N-ethyl-7-methoxy-2-phenylquinolin-4-amine
CID 144979819
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide (CID 45051431) is 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide is Br.COc1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide?
The InChIKey is YRXNXJMYYXMKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.BrH/c1-27-19-11-9-18(10-12-19)22-17-23(20-7-3-4-8-21(20)25-22)24-13-16-26-14-5-2-6-15-26;/h3-4,7-12,17H,2,5-6,13-16H2,1H3,(H,24,25);1H.
What are the key properties of 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide?
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide has a molecular weight of 442.40 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide is sourced from PubChem (CID 45051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).