1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone

C25H18ClNO — CID 155549820

IUPAC1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H18ClNO/c1-17(28)24-23(16-13-18-11-14-20(26)15-12-18)27-22-10-6-5-9-21(22)25(24)19-7-3-2-4-8-19/h2-16H,1H3/b16-13+
InChIKeyMDPIEFRACPJZJC-DTQAZKPQSA-N
MW383.88 g/mol
LogP6.93
Rot. Bonds4

About 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone

1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone (PubChem CID 155549820) has the molecular formula C25H18ClNO and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone
PubChem CID155549820
Molecular FormulaC25H18ClNO
Molecular Weight383.88 g/mol
Exact Mass383.11
IUPAC Name1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone
SMILESCC(=O)c1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H18ClNO/c1-17(28)24-23(16-13-18-11-14-20(26)15-12-18)27-22-10-6-5-9-21(22)25(24)19-7-3-2-4-8-19/h2-16H,1H3/b16-13+
InChIKeyMDPIEFRACPJZJC-DTQAZKPQSA-N
XLogP6.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone?
The IUPAC name of 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone (CID 155549820) is 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone is CC(=O)c1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone?
The InChIKey is MDPIEFRACPJZJC-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H18ClNO/c1-17(28)24-23(16-13-18-11-14-20(26)15-12-18)27-22-10-6-5-9-21(22)25(24)19-7-3-2-4-8-19/h2-16H,1H3/b16-13+.
What are the key properties of 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone?
1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone has a molecular weight of 383.88 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-phenylquinolin-3-yl]ethanone is sourced from PubChem (CID 155549820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).