6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline

C26H22ClFN4 — CID 162670765

IUPAC6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESFc1ccc(/C=C/c2cc(N3CCN(c4ccccn4)CC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C26H22ClFN4/c27-20-7-11-24-23(17-20)25(18-22(30-24)10-6-19-4-8-21(28)9-5-19)31-13-15-32(16-14-31)26-3-1-2-12-29-26/h1-12,17-18H,13-16H2/b10-6+
InChIKeyIIIIRWHMFCNMKM-UXBLZVDNSA-N
MW444.94 g/mol
LogP5.92
Rot. Bonds4

About 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline

6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline (PubChem CID 162670765) has the molecular formula C26H22ClFN4 and a molecular weight of 444.94 g/mol. Its IUPAC name is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
PubChem CID162670765
Molecular FormulaC26H22ClFN4
Molecular Weight444.94 g/mol
Exact Mass444.15
IUPAC Name6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
SMILESFc1ccc(/C=C/c2cc(N3CCN(c4ccccn4)CC3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C26H22ClFN4/c27-20-7-11-24-23(17-20)25(18-22(30-24)10-6-19-4-8-21(28)9-5-19)31-13-15-32(16-14-31)26-3-1-2-12-29-26/h1-12,17-18H,13-16H2/b10-6+
InChIKeyIIIIRWHMFCNMKM-UXBLZVDNSA-N
XLogP5.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.94
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline (CID 162670765) is 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline is Fc1ccc(/C=C/c2cc(N3CCN(c4ccccn4)CC3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
The InChIKey is IIIIRWHMFCNMKM-UXBLZVDNSA-N. The full InChI is InChI=1S/C26H22ClFN4/c27-20-7-11-24-23(17-20)25(18-22(30-24)10-6-19-4-8-21(28)9-5-19)31-13-15-32(16-14-31)26-3-1-2-12-29-26/h1-12,17-18H,13-16H2/b10-6+.
What are the key properties of 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline?
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline has a molecular weight of 444.94 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 162670765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).