8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide

C17H21N3O2 — CID 53303052

IUPAC8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C17H21N3O2/c1-19-10-7-13(8-11-19)20(2)17(22)14-6-5-12-4-3-9-18-15(12)16(14)21/h3-6,9,13,21H,7-8,10-11H2,1-2H3
InChIKeyWHPRCVFQTKEUIE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.11
Rot. Bonds2

About 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide

8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide (PubChem CID 53303052) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
PubChem CID53303052
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3cccnc3c2O)CC1
InChIInChI=1S/C17H21N3O2/c1-19-10-7-13(8-11-19)20(2)17(22)14-6-5-12-4-3-9-18-15(12)16(14)21/h3-6,9,13,21H,7-8,10-11H2,1-2H3
InChIKeyWHPRCVFQTKEUIE-UHFFFAOYSA-N
XLogP2.11
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide (CID 53303052) is 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide is CN1CCC(N(C)C(=O)c2ccc3cccnc3c2O)CC1.
What is the InChIKey of 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
The InChIKey is WHPRCVFQTKEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-10-7-13(8-11-19)20(2)17(22)14-6-5-12-4-3-9-18-15(12)16(14)21/h3-6,9,13,21H,7-8,10-11H2,1-2H3.
What are the key properties of 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide?
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide is sourced from PubChem (CID 53303052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).