2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

C25H30FN3O2 — CID 23723412

IUPAC2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)CC2CCO)cc1
InChIInChI=1S/C25H30FN3O2/c1-2-31-24-8-3-19(4-9-24)16-29-13-12-28(18-23(29)11-14-30)17-22-7-5-20-15-21(26)6-10-25(20)27-22/h3-10,15,23,30H,2,11-14,16-18H2,1H3
InChIKeySSOBWXXBISJORZ-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.84
Rot. Bonds8

About 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723412) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID23723412
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCCOc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)CC2CCO)cc1
InChIInChI=1S/C25H30FN3O2/c1-2-31-24-8-3-19(4-9-24)16-29-13-12-28(18-23(29)11-14-30)17-22-7-5-20-15-21(26)6-10-25(20)27-22/h3-10,15,23,30H,2,11-14,16-18H2,1H3
InChIKeySSOBWXXBISJORZ-UHFFFAOYSA-N
XLogP3.84
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
N-(4-(3-(piperidin-1-yl)propoxy)phenethyl)-5,6,7,8-tetrahydroacridin-9-amine
CID 11004759
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
1-Ethyl-2-(4-methoxystyryl)quinolin-1-ium iodide
CID 14889101
CL-246738 free base
CID 133712
4-(Diphenylmethyl)-alpha-((quinolinyloxy)methyl)-1-piperazinoethanol
CID 195634
1-Ethyl-2-[2-(4-methoxyphenyl)ethenyl]quinolin-1-ium
CID 3534352
2-Amino-4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenol
CID 10150658
5-[2-[4-[(3-Methoxyphenyl)methyl]piperazin-1-yl]ethoxy]-2-methylquinoline
CID 10172853
2-[4-(4-Fluorophenoxy)phenyl]-6-methyl-4-(2-piperidin-1-ylethoxy)pyridine
CID 10179509
N,N-dimethyl-4-(4-propan-2-yloxyquinolin-2-yl)aniline
CID 56946827

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 23723412) is 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is CCOc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)CC2CCO)cc1.
What is the InChIKey of 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is SSOBWXXBISJORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-2-31-24-8-3-19(4-9-24)16-29-13-12-28(18-23(29)11-14-30)17-22-7-5-20-15-21(26)6-10-25(20)27-22/h3-10,15,23,30H,2,11-14,16-18H2,1H3.
What are the key properties of 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 423.53 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).