[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride

C20H23Cl2N3OS — CID 119559766

IUPAC[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C20H21N3OS.2ClH/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17;;/h2-7,12-14,21H,8-11H2,1H3;2*1H
InChIKeyABIMRBLTVFWEIM-UHFFFAOYSA-N
MW424.40 g/mol
LogP4.63
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119559766) has the molecular formula C20H23Cl2N3OS and a molecular weight of 424.40 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119559766
Molecular FormulaC20H23Cl2N3OS
Molecular Weight424.40 g/mol
Exact Mass423.09
IUPAC Name[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C20H21N3OS.2ClH/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17;;/h2-7,12-14,21H,8-11H2,1H3;2*1H
InChIKeyABIMRBLTVFWEIM-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 43981742
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride (CID 119559766) is [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride is CNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1.Cl.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is ABIMRBLTVFWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS.2ClH/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17;;/h2-7,12-14,21H,8-11H2,1H3;2*1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride?
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 424.40 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119559766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).