6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide

C21H29N3O2 — CID 35418477

IUPAC6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCCN3CCC(C)CC3)cc2c1
InChIInChI=1S/C21H29N3O2/c1-15-7-11-24(12-8-15)10-4-9-22-21(25)19-14-17-13-18(26-3)5-6-20(17)23-16(19)2/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,25)
InChIKeyKAXMDLNGGAAFGZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.40
Rot. Bonds6

About 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide

6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide (PubChem CID 35418477) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
PubChem CID35418477
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCCN3CCC(C)CC3)cc2c1
InChIInChI=1S/C21H29N3O2/c1-15-7-11-24(12-8-15)10-4-9-22-21(25)19-14-17-13-18(26-3)5-6-20(17)23-16(19)2/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,25)
InChIKeyKAXMDLNGGAAFGZ-UHFFFAOYSA-N
XLogP3.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
CID 33075683
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
7-methoxy-2-methyl-N-(4-pyrrolidin-1-ylbutyl)quinoline-4-carboxamide
CID 118780364
3-methoxy-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111386707
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
6-methoxy-N-(3-morpholin-4-ylpropyl)furo[2,3-b]quinoline-2-carboxamide
CID 22582811
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 31093187

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide (CID 35418477) is 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)NCCCN3CCC(C)CC3)cc2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide?
The InChIKey is KAXMDLNGGAAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-7-11-24(12-8-15)10-4-9-22-21(25)19-14-17-13-18(26-3)5-6-20(17)23-16(19)2/h5-6,13-15H,4,7-12H2,1-3H3,(H,22,25).
What are the key properties of 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide?
6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-3-carboxamide is sourced from PubChem (CID 35418477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).