4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline

C26H30FN3O2 — CID 10741549

IUPAC4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCO2)CC1
InChIInChI=1S/C26H30FN3O2/c1-29-13-15-30(16-14-29)26-21(12-18-32-24-11-6-17-31-24)25(19-7-2-4-9-22(19)27)20-8-3-5-10-23(20)28-26/h2-5,7-10,24H,6,11-18H2,1H3
InChIKeyYUCFOMOTFRZBEY-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.49
Rot. Bonds6

About 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline

4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline (PubChem CID 10741549) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline
PubChem CID10741549
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCO2)CC1
InChIInChI=1S/C26H30FN3O2/c1-29-13-15-30(16-14-29)26-21(12-18-32-24-11-6-17-31-24)25(19-7-2-4-9-22(19)27)20-8-3-5-10-23(20)28-26/h2-5,7-10,24H,6,11-18H2,1H3
InChIKeyYUCFOMOTFRZBEY-UHFFFAOYSA-N
XLogP4.49
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline with MolForge

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Related Compounds

2-(4-Methyl-piperazin-1-yl)-4-phenyl-3-[2-(tetrahydro-furan-2-yloxy)-ethyl]-quinoline
CID 10574004
2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-ethanol
CID 10617666
[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-acetic acid ethyl ester
CID 11794706
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
2-(4-Methyl-piperazin-1-yl)-4-phenyl-3-(tetrahydro-furan-2-yloxymethyl)-quinoline
CID 10716163
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-quinoline
CID 10742150
3-Butoxymethyl-2-(4-methyl-piperazin-1-yl)-4-phenyl-quinoline
CID 44286630
5-[3-(2-ethoxyethyl)quinolin-2-yl]-N,N-diethylpyridin-2-amine
CID 172453845
7-fluoro-N,4-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]quinolin-2-amine
CID 164634681
7-Fluoro-4-methyl-2-(4-phenyl-1-piperazinyl)quinoline
CID 871707
2-(4-Ethylpiperazin-1-yl)-4-(4-fluorophenyl)quinoline
CID 13752594
2-[4-[4-(4-Fluorophenyl)quinolin-2-yl]piperazin-1-yl]ethanol
CID 13910857

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline?
The IUPAC name of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline (CID 10741549) is 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline?
The canonical SMILES for 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline is CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCO2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline?
The InChIKey is YUCFOMOTFRZBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-29-13-15-30(16-14-29)26-21(12-18-32-24-11-6-17-31-24)25(19-7-2-4-9-22(19)27)20-8-3-5-10-23(20)28-26/h2-5,7-10,24H,6,11-18H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline?
4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline has a molecular weight of 435.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxolan-2-yloxy)ethyl]quinoline is sourced from PubChem (CID 10741549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).