(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid

C26H32N4O7 — CID 44534879

IUPAC(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCCOc4ccncc4)CC3)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C24H30N4O3.C2H2O4/c1-30-20-2-3-23-22(16-20)21(6-11-27-23)24(29)17-28-13-7-18(8-14-28)26-12-15-31-19-4-9-25-10-5-19;3-1(4)2(5)6/h2-6,9-11,16,18,24,26,29H,7-8,12-15,17H2,1H3;(H,3,4)(H,5,6)/t24-;/m0./s1
InChIKeyPXAIFCXXSLQNFZ-JIDHJSLPSA-N
MW512.56 g/mol
LogP1.96
Rot. Bonds9

About (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid

(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid (PubChem CID 44534879) has the molecular formula C26H32N4O7 and a molecular weight of 512.56 g/mol. Its IUPAC name is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid.

Molecular Properties

Compound Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid
PubChem CID44534879
Molecular FormulaC26H32N4O7
Molecular Weight512.56 g/mol
Exact Mass512.23
IUPAC Name(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCCOc4ccncc4)CC3)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C24H30N4O3.C2H2O4/c1-30-20-2-3-23-22(16-20)21(6-11-27-23)24(29)17-28-13-7-18(8-14-28)26-12-15-31-19-4-9-25-10-5-19;3-1(4)2(5)6/h2-6,9-11,16,18,24,26,29H,7-8,12-15,17H2,1H3;(H,3,4)(H,5,6)/t24-;/m0./s1
InChIKeyPXAIFCXXSLQNFZ-JIDHJSLPSA-N
XLogP1.96
TPSA154.34 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid with MolForge

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Launch Full Analysis

Related Compounds

Quinine
CID 3034034
Quinidine
CID 441074
Hydroquinidine
CID 91503
Quinine Hydrochloride
CID 91558
(-)-Dihydroquinine
CID 121515
Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-
CID 1065
Quinidine Gluconate
CID 94328
Hydroquinidine hydrochloride
CID 16211709
Quinine hydrochloride dihydrate
CID 16211283
Ethylhydrocupreine hydrochloride
CID 16219340
(1R)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol hydrochloride hydrate
CID 16219919
Optochin
CID 87880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid?
The IUPAC name of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid (CID 44534879) is (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid.
What is the SMILES notation for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid?
The canonical SMILES for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid is COc1ccc2nccc([C@@H](O)CN3CCC(NCCOc4ccncc4)CC3)c2c1.O=C(O)C(=O)O.
What is the InChIKey of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid?
The InChIKey is PXAIFCXXSLQNFZ-JIDHJSLPSA-N. The full InChI is InChI=1S/C24H30N4O3.C2H2O4/c1-30-20-2-3-23-22(16-20)21(6-11-27-23)24(29)17-28-13-7-18(8-14-28)26-12-15-31-19-4-9-25-10-5-19;3-1(4)2(5)6/h2-6,9-11,16,18,24,26,29H,7-8,12-15,17H2,1H3;(H,3,4)(H,5,6)/t24-;/m0./s1.
What are the key properties of (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid?
(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid has a molecular weight of 512.56 g/mol, XLogP of 1.96, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxyquinolin-4-yl)-2-[4-(2-pyridin-4-yloxyethylamino)piperidin-1-yl]ethanol;oxalic acid is sourced from PubChem (CID 44534879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).