1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride

C19H32ClN3O2 — CID 44521983

IUPAC1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1ccnc2ccc(OC)cc12.Cl.O
InChIInChI=1S/C19H29N3O.ClH.H2O/c1-5-22(6-2)13-7-8-15(3)21-19-11-12-20-18-10-9-16(23-4)14-17(18)19;;/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21);1H;1H2
InChIKeyWGFBQWRGINLXKR-UHFFFAOYSA-N
MW369.94 g/mol
LogP3.76
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride

1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride (PubChem CID 44521983) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride
PubChem CID44521983
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1ccnc2ccc(OC)cc12.Cl.O
InChIInChI=1S/C19H29N3O.ClH.H2O/c1-5-22(6-2)13-7-8-15(3)21-19-11-12-20-18-10-9-16(23-4)14-17(18)19;;/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21);1H;1H2
InChIKeyWGFBQWRGINLXKR-UHFFFAOYSA-N
XLogP3.76
TPSA68.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride?
The IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride (CID 44521983) is 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride is CCN(CC)CCCC(C)Nc1ccnc2ccc(OC)cc12.Cl.O.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride?
The InChIKey is WGFBQWRGINLXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH.H2O/c1-5-22(6-2)13-7-8-15(3)21-19-11-12-20-18-10-9-16(23-4)14-17(18)19;;/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21);1H;1H2.
What are the key properties of 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride?
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(6-methoxyquinolin-4-yl)pentane-1,4-diamine;hydrate;hydrochloride is sourced from PubChem (CID 44521983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).