2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride

C22H27Cl2N3 — CID 45050904

IUPAC2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3.2ClH/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25;;/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24);2*1H
InChIKeyXLBUMYIRYRCFEA-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.64
Rot. Bonds5

About 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride (PubChem CID 45050904) has the molecular formula C22H27Cl2N3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
PubChem CID45050904
Molecular FormulaC22H27Cl2N3
Molecular Weight404.39 g/mol
Exact Mass403.16
IUPAC Name2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H25N3.2ClH/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25;;/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24);2*1H
InChIKeyXLBUMYIRYRCFEA-UHFFFAOYSA-N
XLogP5.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
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CID 73050865
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
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CID 146475702
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
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CID 66901625
3-methyl-1-N-(2-phenylquinolin-4-yl)butane-1,3-diamine;dihydrochloride
CID 90459061
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 130365852
N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride?
The IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride (CID 45050904) is 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride?
The canonical SMILES for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride is Cl.Cl.c1ccc(-c2cc(NCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride?
The InChIKey is XLBUMYIRYRCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3.2ClH/c1-3-9-18(10-4-1)21-17-22(19-11-5-6-12-20(19)24-21)23-13-16-25-14-7-2-8-15-25;;/h1,3-6,9-12,17H,2,7-8,13-16H2,(H,23,24);2*1H.
What are the key properties of 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride?
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride has a molecular weight of 404.39 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride is sourced from PubChem (CID 45050904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).