7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline

C19H19FN4 — CID 11645474

IUPAC7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc2cc(F)ccc12
InChIInChI=1S/C19H19FN4/c1-14-12-19(22-17-13-15(20)5-6-16(14)17)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyZUEWVFAXSLZSKT-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.40
Rot. Bonds2

About 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline

7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline (PubChem CID 11645474) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
PubChem CID11645474
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESCc1cc(N2CCN(c3ccccn3)CC2)nc2cc(F)ccc12
InChIInChI=1S/C19H19FN4/c1-14-12-19(22-17-13-15(20)5-6-16(14)17)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3
InChIKeyZUEWVFAXSLZSKT-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline (CID 11645474) is 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline is Cc1cc(N2CCN(c3ccccn3)CC2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is ZUEWVFAXSLZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-14-12-19(22-17-13-15(20)5-6-16(14)17)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 322.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 11645474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).