2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol

C26H33N3O3 — CID 23724035

IUPAC2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(Cc2ccc3cccc(OC)c3n2)CC1CCO
InChIInChI=1S/C26H33N3O3/c1-3-32-24-9-5-4-7-21(24)17-29-15-14-28(19-23(29)13-16-30)18-22-12-11-20-8-6-10-25(31-2)26(20)27-22/h4-12,23,30H,3,13-19H2,1-2H3
InChIKeyUJIQKHUYCRFNTH-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.71
Rot. Bonds9

About 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23724035) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23724035
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccccc1CN1CCN(Cc2ccc3cccc(OC)c3n2)CC1CCO
InChIInChI=1S/C26H33N3O3/c1-3-32-24-9-5-4-7-21(24)17-29-15-14-28(19-23(29)13-16-30)18-22-12-11-20-8-6-10-25(31-2)26(20)27-22/h4-12,23,30H,3,13-19H2,1-2H3
InChIKeyUJIQKHUYCRFNTH-UHFFFAOYSA-N
XLogP3.71
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 23724035) is 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is CCOc1ccccc1CN1CCN(Cc2ccc3cccc(OC)c3n2)CC1CCO.
What is the InChIKey of 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is UJIQKHUYCRFNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-3-32-24-9-5-4-7-21(24)17-29-15-14-28(19-23(29)13-16-30)18-22-12-11-20-8-6-10-25(31-2)26(20)27-22/h4-12,23,30H,3,13-19H2,1-2H3.
What are the key properties of 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 435.57 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23724035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).