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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Related Compounds

(E)-3-(4'-chlorobiphenyl-4-yl)-N-(4-piperidin-1-ylmethylphenyl)acrylamide
CID 9980157
6-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 118329972
6-chloro-1-(m-tolylmethyl)-2-oxo-4-phenyl-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 145981059
N-[2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]acetamide
CID 139240752
(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2294263
(2E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthylprop-2-enamide
CID 17371694
N-[4-(4-chlorophenyl)phenyl]-2,2,2-trifluoroacetamide
CID 71673894
1-[2-(4-chlorophenyl)ethyl]-3-[4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]phenyl]thiourea
CID 11756268
3,3-bis(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 13503430
(+/-)-6-[chloro(3-fluorophenyl)methyl]-4-phenyl-2(1H)-quinolinone
CID 15484968
7-chloro-6-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 17820902
6-(3-chloro-5-fluorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279034

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).