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

C28H33BrN4O2 — CID 22427817

IUPACN'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
SMILESCc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1
InChIInChI=1S/C28H33BrN4O2/c1-17-11-18(2)16-33(15-17)26-13-19(3)23-14-22(6-8-25(23)31-26)30-27(34)9-10-28(35)32-24-7-5-21(29)12-20(24)4/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,30,34)(H,32,35)
InChIKeySUCKHQWFPDEGDE-UHFFFAOYSA-N
MW537.50 g/mol
LogP6.45
Rot. Bonds6

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

N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide (PubChem CID 22427817) has the molecular formula C28H33BrN4O2 and a molecular weight of 537.50 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
PubChem CID22427817
Molecular FormulaC28H33BrN4O2
Molecular Weight537.50 g/mol
Exact Mass536.18
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
SMILESCc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1
InChIInChI=1S/C28H33BrN4O2/c1-17-11-18(2)16-33(15-17)26-13-19(3)23-14-22(6-8-25(23)31-26)30-27(34)9-10-28(35)32-24-7-5-21(29)12-20(24)4/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,30,34)(H,32,35)
InChIKeySUCKHQWFPDEGDE-UHFFFAOYSA-N
XLogP6.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.50
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(4-fluorophenyl)butanediamide
CID 22427809
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'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-methoxyphenyl)butanediamide
CID 22427815
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 22427825
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-(3-methylpiperidin-1-yl)-4-oxobutanamide
CID 3237399
6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
CID 90005472
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxo-4-[4-(trideuteriomethyl)piperazin-1-yl]butanamide
CID 169443729
2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 46326896
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide (CID 22427817) is N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide is Cc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CC(C)CC(C)C3)cc(C)c2c1.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
The InChIKey is SUCKHQWFPDEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33BrN4O2/c1-17-11-18(2)16-33(15-17)26-13-19(3)23-14-22(6-8-25(23)31-26)30-27(34)9-10-28(35)32-24-7-5-21(29)12-20(24)4/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,30,34)(H,32,35).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide?
N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide has a molecular weight of 537.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide is sourced from PubChem (CID 22427817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).