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

C18H16BrFN4 — CID 133358648

IUPAC6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
SMILESFc1cc2nc(N3CCN(c4ccncc4)CC3)ccc2cc1Br
InChIInChI=1S/C18H16BrFN4/c19-15-11-13-1-2-18(22-17(13)12-16(15)20)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11-12H,7-10H2
InChIKeyCERPXPRBKNQRKO-UHFFFAOYSA-N
MW387.26 g/mol
LogP3.86
Rot. Bonds2

About 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline

6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline (PubChem CID 133358648) has the molecular formula C18H16BrFN4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
PubChem CID133358648
Molecular FormulaC18H16BrFN4
Molecular Weight387.26 g/mol
Exact Mass386.05
IUPAC Name6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline
SMILESFc1cc2nc(N3CCN(c4ccncc4)CC3)ccc2cc1Br
InChIInChI=1S/C18H16BrFN4/c19-15-11-13-1-2-18(22-17(13)12-16(15)20)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11-12H,7-10H2
InChIKeyCERPXPRBKNQRKO-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133358272
2-[4-(6-bromo-7-fluoroquinolin-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133358607
6-bromo-7-fluoro-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]quinoline
CID 133387094
5,8-difluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline;2,2,2-trifluoroacetic acid
CID 166363124
2-(4-pyridin-4-ylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 165432779
2-methyl-4-piperidin-1-yl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
CID 165433055
4-pyrrolidin-1-ylpyridine
CID 158456628
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine
CID 159646472
N-[2-fluoro-4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]benzamide
CID 140597681
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline?
The IUPAC name of 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline (CID 133358648) is 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline is Fc1cc2nc(N3CCN(c4ccncc4)CC3)ccc2cc1Br.
What is the InChIKey of 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline?
The InChIKey is CERPXPRBKNQRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4/c19-15-11-13-1-2-18(22-17(13)12-16(15)20)24-9-7-23(8-10-24)14-3-5-21-6-4-14/h1-6,11-12H,7-10H2.
What are the key properties of 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline?
6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline has a molecular weight of 387.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2-(4-pyridin-4-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 133358648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).