[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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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).