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Pamaquine

C19H29N3O — CID 10290

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3
InChIKeyQTQWMSOQOSJFBV-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.17
Rot. Bonds9

About Pamaquine

Pamaquine (PubChem CID 10290) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.

Molecular Properties

Compound NamePamaquine
PubChem CID10290
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3
InChIKeyQTQWMSOQOSJFBV-UHFFFAOYSA-N
XLogP4.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Primaquine
CID 4908
Primaquine Diphosphate
CID 6135
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
6-Methoxy-8-quinolinamine
CID 7023
(+)-Primaquine
CID 3044369
6-Methoxyquinoline
CID 14860

Frequently Asked Questions

What is the IUPAC name of Pamaquine?
The IUPAC name of Pamaquine (CID 10290) is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine.
What is the SMILES notation for Pamaquine?
The canonical SMILES for Pamaquine is CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12.
What is the InChIKey of Pamaquine?
The InChIKey is QTQWMSOQOSJFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4)13-16-10-7-11-20-19(16)18/h7,10-11,13-15,21H,5-6,8-9,12H2,1-4H3.
What are the key properties of Pamaquine?
Pamaquine has a molecular weight of 315.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Pamaquine is sourced from PubChem (CID 10290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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