2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole

C27H19ClN2S — CID 118324044

IUPAC2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole
SMILESClc1ccc(C(c2ccc3nccc(/C=C/c4ccccc4)c3c2)c2nccs2)cc1
InChIInChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)26(27-30-16-17-31-27)22-10-13-25-24(18-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,26H/b7-6+
InChIKeyQLUFSRZAHAKEGD-VOTSOKGWSA-N
MW438.98 g/mol
LogP7.70
Rot. Bonds5

About 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole

2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole (PubChem CID 118324044) has the molecular formula C27H19ClN2S and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole
PubChem CID118324044
Molecular FormulaC27H19ClN2S
Molecular Weight438.98 g/mol
Exact Mass438.10
IUPAC Name2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole
SMILESClc1ccc(C(c2ccc3nccc(/C=C/c4ccccc4)c3c2)c2nccs2)cc1
InChIInChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)26(27-30-16-17-31-27)22-10-13-25-24(18-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,26H/b7-6+
InChIKeyQLUFSRZAHAKEGD-VOTSOKGWSA-N
XLogP7.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole (CID 118324044) is 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole is Clc1ccc(C(c2ccc3nccc(/C=C/c4ccccc4)c3c2)c2nccs2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole?
The InChIKey is QLUFSRZAHAKEGD-VOTSOKGWSA-N. The full InChI is InChI=1S/C27H19ClN2S/c28-23-11-8-21(9-12-23)26(27-30-16-17-31-27)22-10-13-25-24(18-22)20(14-15-29-25)7-6-19-4-2-1-3-5-19/h1-18,26H/b7-6+.
What are the key properties of 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole?
2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole has a molecular weight of 438.98 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[4-[(E)-2-phenylethenyl]quinolin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118324044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).