(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

C22H24N2O2 — CID 3500511

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)o1
InChIInChI=1S/C22H24N2O2/c1-14-10-15(2)13-24(12-14)22(25)18-11-20(21-9-8-16(3)26-21)23-19-7-5-4-6-17(18)19/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyZNYBBKBNQBRYLY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.92
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (PubChem CID 3500511) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
PubChem CID3500511
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)o1
InChIInChI=1S/C22H24N2O2/c1-14-10-15(2)13-24(12-14)22(25)18-11-20(21-9-8-16(3)26-21)23-19-7-5-4-6-17(18)19/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyZNYBBKBNQBRYLY-UHFFFAOYSA-N
XLogP4.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (CID 3500511) is (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)o1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The InChIKey is ZNYBBKBNQBRYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-10-15(2)13-24(12-14)22(25)18-11-20(21-9-8-16(3)26-21)23-19-7-5-4-6-17(18)19/h4-9,11,14-15H,10,12-13H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 3500511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).