2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline

C25H23FN4 — CID 174699567

IUPAC2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCC1CN(c2ccccn2)CCN1c1cc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4/c1-18-17-29(24-8-4-5-13-27-24)14-15-30(18)23-16-20-6-2-3-7-22(20)28-25(23)19-9-11-21(26)12-10-19/h2-13,16,18H,14-15,17H2,1H3
InChIKeyLHIOEDQAMNIOSD-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.15
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline

2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline (PubChem CID 174699567) has the molecular formula C25H23FN4 and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline
PubChem CID174699567
Molecular FormulaC25H23FN4
Molecular Weight398.49 g/mol
Exact Mass398.19
IUPAC Name2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCC1CN(c2ccccn2)CCN1c1cc2ccccc2nc1-c1ccc(F)cc1
InChIInChI=1S/C25H23FN4/c1-18-17-29(24-8-4-5-13-27-24)14-15-30(18)23-16-20-6-2-3-7-22(20)28-25(23)19-9-11-21(26)12-10-19/h2-13,16,18H,14-15,17H2,1H3
InChIKeyLHIOEDQAMNIOSD-UHFFFAOYSA-N
XLogP5.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline (CID 174699567) is 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline is CC1CN(c2ccccn2)CCN1c1cc2ccccc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is LHIOEDQAMNIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4/c1-18-17-29(24-8-4-5-13-27-24)14-15-30(18)23-16-20-6-2-3-7-22(20)28-25(23)19-9-11-21(26)12-10-19/h2-13,16,18H,14-15,17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline?
2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 398.49 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methyl-4-pyridin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 174699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).