(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride

C19H21Cl2N3O2 — CID 119375996

IUPAC(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C19H19N3O2.2ClH/c20-13-7-9-22(10-8-13)19(23)15-12-17(18-6-3-11-24-18)21-16-5-2-1-4-14(15)16;;/h1-6,11-13H,7-10,20H2;2*1H
InChIKeyYYVQCBBLFBFECD-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.90
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride

(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride (PubChem CID 119375996) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
PubChem CID119375996
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1
InChIInChI=1S/C19H19N3O2.2ClH/c20-13-7-9-22(10-8-13)19(23)15-12-17(18-6-3-11-24-18)21-16-5-2-1-4-14(15)16;;/h1-6,11-13H,7-10,20H2;2*1H
InChIKeyYYVQCBBLFBFECD-UHFFFAOYSA-N
XLogP3.90
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 55808329
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride (CID 119375996) is (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride?
The InChIKey is YYVQCBBLFBFECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.2ClH/c20-13-7-9-22(10-8-13)19(23)15-12-17(18-6-3-11-24-18)21-16-5-2-1-4-14(15)16;;/h1-6,11-13H,7-10,20H2;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride has a molecular weight of 394.30 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 119375996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).