2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol

C18H26ClN3O — CID 3652

IUPAC2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKeyXXSMGPRMXLTPCZ-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.78
Rot. Bonds9

About 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol

2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol (PubChem CID 3652) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
PubChem CID3652
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
SMILESCCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
InChIKeyXXSMGPRMXLTPCZ-UHFFFAOYSA-N
XLogP3.78
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine Sulfate
CID 12947
(+-)-Desethylhydroxychloroquine
CID 71826
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
Aminoquinol
CID 5708341
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
7-Chloro-4-hydrazinylquinoline
CID 32109
Sontoquine
CID 66553

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The IUPAC name of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol (CID 3652) is 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol.
What is the SMILES notation for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The canonical SMILES for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol is CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
The InChIKey is XXSMGPRMXLTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol?
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol has a molecular weight of 335.88 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol is sourced from PubChem (CID 3652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).