6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one

C31H21ClF3NO — CID 118329959

IUPAC6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)c2cc(C(c3ccccc3)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C31H21ClF3NO/c32-26-15-10-22(11-16-26)30(21-4-2-1-3-5-21)24-12-17-28-27(18-24)23(19-29(37)36-28)9-6-20-7-13-25(14-8-20)31(33,34)35/h1-19,30H,(H,36,37)/b9-6+
InChIKeyRBYRKKSDIDNREM-RMKNXTFCSA-N
MW515.96 g/mol
LogP8.55
Rot. Bonds5

About 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one

6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one (PubChem CID 118329959) has the molecular formula C31H21ClF3NO and a molecular weight of 515.96 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
PubChem CID118329959
Molecular FormulaC31H21ClF3NO
Molecular Weight515.96 g/mol
Exact Mass515.13
IUPAC Name6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)c2cc(C(c3ccccc3)c3ccc(Cl)cc3)ccc2[nH]1
InChIInChI=1S/C31H21ClF3NO/c32-26-15-10-22(11-16-26)30(21-4-2-1-3-5-21)24-12-17-28-27(18-24)23(19-29(37)36-28)9-6-20-7-13-25(14-8-20)31(33,34)35/h1-19,30H,(H,36,37)/b9-6+
InChIKeyRBYRKKSDIDNREM-RMKNXTFCSA-N
XLogP8.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.96
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one (CID 118329959) is 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one is O=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)c2cc(C(c3ccccc3)c3ccc(Cl)cc3)ccc2[nH]1.
What is the InChIKey of 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The InChIKey is RBYRKKSDIDNREM-RMKNXTFCSA-N. The full InChI is InChI=1S/C31H21ClF3NO/c32-26-15-10-22(11-16-26)30(21-4-2-1-3-5-21)24-12-17-28-27(18-24)23(19-29(37)36-28)9-6-20-7-13-25(14-8-20)31(33,34)35/h1-19,30H,(H,36,37)/b9-6+.
What are the key properties of 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one has a molecular weight of 515.96 g/mol, XLogP of 8.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 118329959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).