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

C25H36N4O2 — CID 15996185

IUPACN'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
SMILESCCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1
InChIInChI=1S/C25H36N4O2/c1-6-19(5)26-24(30)9-10-25(31)27-20-7-8-22-21(13-20)18(4)12-23(28-22)29-14-16(2)11-17(3)15-29/h7-8,12-13,16-17,19H,6,9-11,14-15H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyYSXMEJABVQDFFB-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.66
Rot. Bonds7

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

N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide (PubChem CID 15996185) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
PubChem CID15996185
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
SMILESCCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1
InChIInChI=1S/C25H36N4O2/c1-6-19(5)26-24(30)9-10-25(31)27-20-7-8-22-21(13-20)18(4)12-23(28-22)29-14-16(2)11-17(3)15-29/h7-8,12-13,16-17,19H,6,9-11,14-15H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyYSXMEJABVQDFFB-UHFFFAOYSA-N
XLogP4.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The IUPAC name of N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide (CID 15996185) is N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide.
What is the SMILES notation for N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The canonical SMILES for N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide is CCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1.
What is the InChIKey of N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The InChIKey is YSXMEJABVQDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-6-19(5)26-24(30)9-10-25(31)27-20-7-8-22-21(13-20)18(4)12-23(28-22)29-14-16(2)11-17(3)15-29/h7-8,12-13,16-17,19H,6,9-11,14-15H2,1-5H3,(H,26,30)(H,27,31).
What are the key properties of N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide has a molecular weight of 424.59 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide is sourced from PubChem (CID 15996185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).