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

C25H28N2O3 — CID 3299911

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-16-11-17(2)15-27(14-16)25(28)20-13-22(26-21-8-6-5-7-19(20)21)18-9-10-23(29-3)24(12-18)30-4/h5-10,12-13,16-17H,11,14-15H2,1-4H3
InChIKeyJINFMNIJBGLYFR-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.04
Rot. Bonds4

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

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 3299911) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID3299911
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-16-11-17(2)15-27(14-16)25(28)20-13-22(26-21-8-6-5-7-19(20)21)18-9-10-23(29-3)24(12-18)30-4/h5-10,12-13,16-17H,11,14-15H2,1-4H3
InChIKeyJINFMNIJBGLYFR-UHFFFAOYSA-N
XLogP5.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 3299911) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CC(C)CC(C)C3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is JINFMNIJBGLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16-11-17(2)15-27(14-16)25(28)20-13-22(26-21-8-6-5-7-19(20)21)18-9-10-23(29-3)24(12-18)30-4/h5-10,12-13,16-17H,11,14-15H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 404.51 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3299911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).