(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C22H24N2OS — CID 92768522

IUPAC(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](C)C3)c2cc1C
InChIInChI=1S/C22H24N2OS/c1-14-6-4-8-24(13-14)22(25)18-12-20(21-7-5-9-26-21)23-19-11-16(3)15(2)10-17(18)19/h5,7,9-12,14H,4,6,8,13H2,1-3H3/t14-/m0/s1
InChIKeyPUYCZTVEKWCADN-AWEZNQCLSA-N
MW364.51 g/mol
LogP5.45
Rot. Bonds2

About (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 92768522) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID92768522
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](C)C3)c2cc1C
InChIInChI=1S/C22H24N2OS/c1-14-6-4-8-24(13-14)22(25)18-12-20(21-7-5-9-26-21)23-19-11-16(3)15(2)10-17(18)19/h5,7,9-12,14H,4,6,8,13H2,1-3H3/t14-/m0/s1
InChIKeyPUYCZTVEKWCADN-AWEZNQCLSA-N
XLogP5.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 92768522) is (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is Cc1cc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H](C)C3)c2cc1C.
What is the InChIKey of (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is PUYCZTVEKWCADN-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-14-6-4-8-24(13-14)22(25)18-12-20(21-7-5-9-26-21)23-19-11-16(3)15(2)10-17(18)19/h5,7,9-12,14H,4,6,8,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 364.51 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-2-thiophen-2-ylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92768522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).