2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid

C25H27N3O4 — CID 46326896

IUPAC2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
SMILESCC1CC(C)CN(c2cc(C(=O)O)c3cc(NC(=O)COc4ccccc4)ccc3n2)C1
InChIInChI=1S/C25H27N3O4/c1-16-10-17(2)14-28(13-16)23-12-21(25(30)31)20-11-18(8-9-22(20)27-23)26-24(29)15-32-19-6-4-3-5-7-19/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyGTLWPYHRFRBXQY-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.43
Rot. Bonds6

About 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid

2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid (PubChem CID 46326896) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
PubChem CID46326896
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
SMILESCC1CC(C)CN(c2cc(C(=O)O)c3cc(NC(=O)COc4ccccc4)ccc3n2)C1
InChIInChI=1S/C25H27N3O4/c1-16-10-17(2)14-28(13-16)23-12-21(25(30)31)20-11-18(8-9-22(20)27-23)26-24(29)15-32-19-6-4-3-5-7-19/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyGTLWPYHRFRBXQY-UHFFFAOYSA-N
XLogP4.43
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid with MolForge

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50783033
6-[(3-chlorobenzoyl)amino]-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]quinoline-4-carboxylic acid
CID 92870024
N'-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N-(4-fluorophenyl)butanediamide
CID 22427809
N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 126478908
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784207
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784030
N'-(4-bromo-2-methylphenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
CID 22427817
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11705240
N'-(5-chloro-2,4-dimethoxyphenyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-4-methylquinolin-6-yl]butanediamide
CID 98192216
6-(butanoylamino)-2-[4-(2-chlorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146058111
6-benzamido-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783996
2-(4-ethoxycarbonylpiperazin-1-yl)-6-(pentanoylamino)quinoline-4-carboxylic acid
CID 46326967

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid (CID 46326896) is 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid is CC1CC(C)CN(c2cc(C(=O)O)c3cc(NC(=O)COc4ccccc4)ccc3n2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid?
The InChIKey is GTLWPYHRFRBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-16-10-17(2)14-28(13-16)23-12-21(25(30)31)20-11-18(8-9-22(20)27-23)26-24(29)15-32-19-6-4-3-5-7-19/h3-9,11-12,16-17H,10,13-15H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid?
2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid has a molecular weight of 433.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid is sourced from PubChem (CID 46326896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).