(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone

C20H20N2OS — CID 4556865

IUPAC(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1
InChIInChI=1S/C20H20N2OS/c1-14-6-4-10-22(13-14)20(23)16-12-18(19-9-5-11-24-19)21-17-8-3-2-7-15(16)17/h2-3,5,7-9,11-12,14H,4,6,10,13H2,1H3
InChIKeyXECIMUVJDYQHCB-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.84
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone

(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 4556865) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID4556865
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1
InChIInChI=1S/C20H20N2OS/c1-14-6-4-10-22(13-14)20(23)16-12-18(19-9-5-11-24-19)21-17-8-3-2-7-15(16)17/h2-3,5,7-9,11-12,14H,4,6,10,13H2,1H3
InChIKeyXECIMUVJDYQHCB-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 4556865) is (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone is CC1CCCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is XECIMUVJDYQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-6-4-10-22(13-14)20(23)16-12-18(19-9-5-11-24-19)21-17-8-3-2-7-15(16)17/h2-3,5,7-9,11-12,14H,4,6,10,13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone?
(3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 4556865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).