2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline

C30H23ClN2O2 — CID 70169344

IUPAC2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
SMILESClc1ccc(/C=C(/COc2ccncc2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C30H23ClN2O2/c31-26-10-5-22(6-11-26)19-25(20-34-29-15-17-32-18-16-29)23-8-13-28(14-9-23)35-21-27-12-7-24-3-1-2-4-30(24)33-27/h1-19H,20-21H2/b25-19-
InChIKeyIJTVRWKLEBLUSX-PLRJNAJWSA-N
MW478.98 g/mol
LogP7.48
Rot. Bonds8

About 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline

2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline (PubChem CID 70169344) has the molecular formula C30H23ClN2O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
PubChem CID70169344
Molecular FormulaC30H23ClN2O2
Molecular Weight478.98 g/mol
Exact Mass478.14
IUPAC Name2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline
SMILESClc1ccc(/C=C(/COc2ccncc2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C30H23ClN2O2/c31-26-10-5-22(6-11-26)19-25(20-34-29-15-17-32-18-16-29)23-8-13-28(14-9-23)35-21-27-12-7-24-3-1-2-4-30(24)33-27/h1-19H,20-21H2/b25-19-
InChIKeyIJTVRWKLEBLUSX-PLRJNAJWSA-N
XLogP7.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline (CID 70169344) is 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline is Clc1ccc(/C=C(/COc2ccncc2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
The InChIKey is IJTVRWKLEBLUSX-PLRJNAJWSA-N. The full InChI is InChI=1S/C30H23ClN2O2/c31-26-10-5-22(6-11-26)19-25(20-34-29-15-17-32-18-16-29)23-8-13-28(14-9-23)35-21-27-12-7-24-3-1-2-4-30(24)33-27/h1-19H,20-21H2/b25-19-.
What are the key properties of 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline?
2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline has a molecular weight of 478.98 g/mol, XLogP of 7.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-1-(4-chlorophenyl)-3-pyridin-4-yloxyprop-1-en-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 70169344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).