2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline

C20H20FN3 — CID 150243687

IUPAC2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
SMILESCC1CNCCN1c1cc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3/c1-14-13-22-10-11-24(14)19-12-16-4-2-3-5-18(16)23-20(19)15-6-8-17(21)9-7-15/h2-9,12,14,22H,10-11,13H2,1H3
InChIKeyFYBDTZAVISMJLI-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline

2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline (PubChem CID 150243687) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
PubChem CID150243687
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline
SMILESCC1CNCCN1c1cc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3/c1-14-13-22-10-11-24(14)19-12-16-4-2-3-5-18(16)23-20(19)15-6-8-17(21)9-7-15/h2-9,12,14,22H,10-11,13H2,1H3
InChIKeyFYBDTZAVISMJLI-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 174699567
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
CID 11543595
1-[2-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 11500220
1-(5-fluoro-1-benzofuran-7-yl)-2-methylpiperazine
CID 22277293
1-[2-fluoro-3-(2-fluorophenyl)phenyl]-2-methylpiperazine
CID 69396647
2-chloro-4-(4-fluorophenyl)-6-[(2R)-2-methylpiperazin-1-yl]pyrimidine
CID 141105926
2-methyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64930528
2-(4-fluorophenyl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylic acid
CID 141344444
(2R)-1-[3-fluoro-5-(4-fluorophenyl)phenyl]-2-methylpiperazine
CID 59822612
(2R)-1-[3-(2,6-difluorophenyl)-5-fluorophenyl]-2-methylpiperazine
CID 59822611
4-(2-methylpiperazin-1-yl)-3,6-dipyridin-2-ylpyridazine
CID 19894608
(2S)-1-(2-chloro-3-fluorophenyl)-2-methylpiperazine
CID 11514137

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline (CID 150243687) is 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline is CC1CNCCN1c1cc2ccccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline?
The InChIKey is FYBDTZAVISMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-14-13-22-10-11-24(14)19-12-16-4-2-3-5-18(16)23-20(19)15-6-8-17(21)9-7-15/h2-9,12,14,22H,10-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline?
2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline has a molecular weight of 321.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 150243687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).