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

C27H32FN3O2 — CID 10742150

IUPAC4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCCO2)CC1
InChIInChI=1S/C27H32FN3O2/c1-30-14-16-31(17-15-30)27-22(13-19-33-25-12-6-7-18-32-25)26(20-8-2-4-10-23(20)28)21-9-3-5-11-24(21)29-27/h2-5,8-11,25H,6-7,12-19H2,1H3
InChIKeyJKSRYWNYDVMKPA-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.88
Rot. Bonds6

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

4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline (PubChem CID 10742150) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline
PubChem CID10742150
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline
SMILESCN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCCO2)CC1
InChIInChI=1S/C27H32FN3O2/c1-30-14-16-31(17-15-30)27-22(13-19-33-25-12-6-7-18-32-25)26(20-8-2-4-10-23(20)28)21-9-3-5-11-24(21)29-27/h2-5,8-11,25H,6-7,12-19H2,1H3
InChIKeyJKSRYWNYDVMKPA-UHFFFAOYSA-N
XLogP4.88
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-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
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-furan-2-yloxy)-ethyl]-quinoline
CID 10741549
[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
1-(4-Ethylpiperazin-1-yl)-3-[3-fluoro-4-(2-acetoxyethyl)phenyl]isoquinoline
CID 22503440
3-[4-[3,3-Dimethylbutyl(2-morpholin-4-ylethyl)amino]-1-(oxan-4-yl)butyl]-6-(2-fluorophenyl)quinolin-2-amine
CID 44179971
Ethyl 4-[4-(6-fluoro-4-methylquinolin-2-yl)piperazin-1-yl]butanoate
CID 90149849
4-(3-benzyl-2-morpholin-4-ylquinolin-4-yl)-3-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 143401739
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 56373663
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine
CID 60569983

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline?
The IUPAC name of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline (CID 10742150) is 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline.
What is the SMILES notation for 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline?
The canonical SMILES for 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline is CN1CCN(c2nc3ccccc3c(-c3ccccc3F)c2CCOC2CCCCO2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline?
The InChIKey is JKSRYWNYDVMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-30-14-16-31(17-15-30)27-22(13-19-33-25-12-6-7-18-32-25)26(20-8-2-4-10-23(20)28)21-9-3-5-11-24(21)29-27/h2-5,8-11,25H,6-7,12-19H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline?
4-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)-3-[2-(oxan-2-yloxy)ethyl]quinoline has a molecular weight of 449.57 g/mol, XLogP of 4.88, 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-(oxan-2-yloxy)ethyl]quinoline is sourced from PubChem (CID 10742150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).