2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol

C25H31N3O3 — CID 45206179

IUPAC2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccc4cccc(OC)c4n3)CC2CCO)c1
InChIInChI=1S/C25H31N3O3/c1-30-23-7-3-5-19(15-23)16-28-13-12-27(18-22(28)11-14-29)17-21-10-9-20-6-4-8-24(31-2)25(20)26-21/h3-10,15,22,29H,11-14,16-18H2,1-2H3
InChIKeyLJQGUUGLWBLKDS-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.32
Rot. Bonds8

About 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45206179) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45206179
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(Cc3ccc4cccc(OC)c4n3)CC2CCO)c1
InChIInChI=1S/C25H31N3O3/c1-30-23-7-3-5-19(15-23)16-28-13-12-27(18-22(28)11-14-29)17-21-10-9-20-6-4-8-24(31-2)25(20)26-21/h3-10,15,22,29H,11-14,16-18H2,1-2H3
InChIKeyLJQGUUGLWBLKDS-UHFFFAOYSA-N
XLogP3.32
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 29208692
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403
2-[4-(isoquinolin-5-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45238989
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51902765
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethylphenol
CID 29021868
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 23723757
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 45228799
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 45206179) is 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(Cc3ccc4cccc(OC)c4n3)CC2CCO)c1.
What is the InChIKey of 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LJQGUUGLWBLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-30-23-7-3-5-19(15-23)16-28-13-12-27(18-22(28)11-14-29)17-21-10-9-20-6-4-8-24(31-2)25(20)26-21/h3-10,15,22,29H,11-14,16-18H2,1-2H3.
What are the key properties of 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 421.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxyphenyl)methyl]-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45206179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).