N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide

C28H34N4O3 — CID 22427815

IUPACN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CC(C)CC(C)C4)cc(C)c3c2)c1
InChIInChI=1S/C28H34N4O3/c1-18-12-19(2)17-32(16-18)26-13-20(3)24-15-22(8-9-25(24)31-26)30-28(34)11-10-27(33)29-21-6-5-7-23(14-21)35-4/h5-9,13-15,18-19H,10-12,16-17H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyDGAHYZNEBPTNHV-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.39
Rot. Bonds7

About N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide

N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide (PubChem CID 22427815) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
PubChem CID22427815
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
SMILESCOc1cccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CC(C)CC(C)C4)cc(C)c3c2)c1
InChIInChI=1S/C28H34N4O3/c1-18-12-19(2)17-32(16-18)26-13-20(3)24-15-22(8-9-25(24)31-26)30-28(34)11-10-27(33)29-21-6-5-7-23(14-21)35-4/h5-9,13-15,18-19H,10-12,16-17H2,1-4H3,(H,29,33)(H,30,34)
InChIKeyDGAHYZNEBPTNHV-UHFFFAOYSA-N
XLogP5.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-(5-chloro-2,4-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-4-methylquinolin-6-yl]butanediamide
CID 98192218
N'-(5-chloro-2,4-dimethoxyphenyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylquinolin-6-yl]butanediamide
CID 98192216
N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
CID 22427817
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 22427825
2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 46326896
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
2,4-dimethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 46504665
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide?
The IUPAC name of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide (CID 22427815) is N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide.
What is the SMILES notation for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide?
The canonical SMILES for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide is COc1cccc(NC(=O)CCC(=O)Nc2ccc3nc(N4CC(C)CC(C)C4)cc(C)c3c2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide?
The InChIKey is DGAHYZNEBPTNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-18-12-19(2)17-32(16-18)26-13-20(3)24-15-22(8-9-25(24)31-26)30-28(34)11-10-27(33)29-21-6-5-7-23(14-21)35-4/h5-9,13-15,18-19H,10-12,16-17H2,1-4H3,(H,29,33)(H,30,34).
What are the key properties of N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide?
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide has a molecular weight of 474.61 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide is sourced from PubChem (CID 22427815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).