2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one

C24H20F3NO2 — CID 169249509

IUPAC2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one
SMILESC=C/C(=C\C=C/C)COc1ccc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C24H20F3NO2/c1-3-5-8-16(4-2)15-30-23-12-11-17(24(25,26)27)13-19(23)21-14-22(29)18-9-6-7-10-20(18)28-21/h3-14H,2,15H2,1H3,(H,28,29)/b5-3-,16-8+
InChIKeyZAFLSJFHSBFUIA-GYKTZEGQSA-N
MW411.42 g/mol
LogP6.28
Rot. Bonds6

About 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one

2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one (PubChem CID 169249509) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one
PubChem CID169249509
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC Name2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one
SMILESC=C/C(=C\C=C/C)COc1ccc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C24H20F3NO2/c1-3-5-8-16(4-2)15-30-23-12-11-17(24(25,26)27)13-19(23)21-14-22(29)18-9-6-7-10-20(18)28-21/h3-14H,2,15H2,1H3,(H,28,29)/b5-3-,16-8+
InChIKeyZAFLSJFHSBFUIA-GYKTZEGQSA-N
XLogP6.28
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The IUPAC name of 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one (CID 169249509) is 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one is C=C/C(=C\C=C/C)COc1ccc(C(F)(F)F)cc1-c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
The InChIKey is ZAFLSJFHSBFUIA-GYKTZEGQSA-N. The full InChI is InChI=1S/C24H20F3NO2/c1-3-5-8-16(4-2)15-30-23-12-11-17(24(25,26)27)13-19(23)21-14-22(29)18-9-6-7-10-20(18)28-21/h3-14H,2,15H2,1H3,(H,28,29)/b5-3-,16-8+.
What are the key properties of 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one?
2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one has a molecular weight of 411.42 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2E,4Z)-2-ethenylhexa-2,4-dienoxy]-5-(trifluoromethyl)phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 169249509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).