2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol

C22H32ClN3O2 — CID 156874865

IUPAC2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol
SMILESCC(CCCN(CCO)CCO)Nc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C22H32ClN3O2/c1-16(5-4-10-26(11-13-27)12-14-28)24-22-18-6-2-3-7-20(18)25-21-15-17(23)8-9-19(21)22/h8-9,15-16,27-28H,2-7,10-14H2,1H3,(H,24,25)
InChIKeyZYYZMXKKKRLTOA-UHFFFAOYSA-N
MW405.97 g/mol
LogP3.63
Rot. Bonds10

About 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol

2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 156874865) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol
PubChem CID156874865
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC Name2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol
SMILESCC(CCCN(CCO)CCO)Nc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C22H32ClN3O2/c1-16(5-4-10-26(11-13-27)12-14-28)24-22-18-6-2-3-7-20(18)25-21-15-17(23)8-9-19(21)22/h8-9,15-16,27-28H,2-7,10-14H2,1H3,(H,24,25)
InChIKeyZYYZMXKKKRLTOA-UHFFFAOYSA-N
XLogP3.63
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol (CID 156874865) is 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol is CC(CCCN(CCO)CCO)Nc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZYYZMXKKKRLTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O2/c1-16(5-4-10-26(11-13-27)12-14-28)24-22-18-6-2-3-7-20(18)25-21-15-17(23)8-9-19(21)22/h8-9,15-16,27-28H,2-7,10-14H2,1H3,(H,24,25).
What are the key properties of 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol?
2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 405.97 g/mol, XLogP of 3.63, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 156874865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).