2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride

C18H27Cl2N3O2 — CID 154725886

IUPAC2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCC(CCCN(CCO)CCO)Nc1ccnc2cccc(Cl)c12.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-14(4-3-9-22(10-12-23)11-13-24)21-17-7-8-20-16-6-2-5-15(19)18(16)17;/h2,5-8,14,23-24H,3-4,9-13H2,1H3,(H,20,21);1H
InChIKeyNWGJHRUCGYVRJI-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.18
Rot. Bonds10

About 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride

2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride (PubChem CID 154725886) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride
PubChem CID154725886
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride
SMILESCC(CCCN(CCO)CCO)Nc1ccnc2cccc(Cl)c12.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-14(4-3-9-22(10-12-23)11-13-24)21-17-7-8-20-16-6-2-5-15(19)18(16)17;/h2,5-8,14,23-24H,3-4,9-13H2,1H3,(H,20,21);1H
InChIKeyNWGJHRUCGYVRJI-UHFFFAOYSA-N
XLogP3.18
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride (CID 154725886) is 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride is CC(CCCN(CCO)CCO)Nc1ccnc2cccc(Cl)c12.Cl.
What is the InChIKey of 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride?
The InChIKey is NWGJHRUCGYVRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-14(4-3-9-22(10-12-23)11-13-24)21-17-7-8-20-16-6-2-5-15(19)18(16)17;/h2,5-8,14,23-24H,3-4,9-13H2,1H3,(H,20,21);1H.
What are the key properties of 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride?
2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloroquinolin-4-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol;hydrochloride is sourced from PubChem (CID 154725886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).