6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one

C29H19ClF3NOS — CID 118329954

IUPAC6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2cccc(C(F)(F)F)c2)c2cc(C(c3ccc(Cl)cc3)c3cccs3)ccc2[nH]1
InChIInChI=1S/C29H19ClF3NOS/c30-23-11-8-19(9-12-23)28(26-5-2-14-36-26)21-10-13-25-24(16-21)20(17-27(35)34-25)7-6-18-3-1-4-22(15-18)29(31,32)33/h1-17,28H,(H,34,35)/b7-6+
InChIKeyHSSVLTVLDQIALV-VOTSOKGWSA-N
MW521.99 g/mol
LogP8.61
Rot. Bonds5

About 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one

6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one (PubChem CID 118329954) has the molecular formula C29H19ClF3NOS and a molecular weight of 521.99 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
PubChem CID118329954
Molecular FormulaC29H19ClF3NOS
Molecular Weight521.99 g/mol
Exact Mass521.08
IUPAC Name6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2cccc(C(F)(F)F)c2)c2cc(C(c3ccc(Cl)cc3)c3cccs3)ccc2[nH]1
InChIInChI=1S/C29H19ClF3NOS/c30-23-11-8-19(9-12-23)28(26-5-2-14-36-26)21-10-13-25-24(16-21)20(17-27(35)34-25)7-6-18-3-1-4-22(15-18)29(31,32)33/h1-17,28H,(H,34,35)/b7-6+
InChIKeyHSSVLTVLDQIALV-VOTSOKGWSA-N
XLogP8.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.99
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one (CID 118329954) is 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one is O=c1cc(/C=C/c2cccc(C(F)(F)F)c2)c2cc(C(c3ccc(Cl)cc3)c3cccs3)ccc2[nH]1.
What is the InChIKey of 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
The InChIKey is HSSVLTVLDQIALV-VOTSOKGWSA-N. The full InChI is InChI=1S/C29H19ClF3NOS/c30-23-11-8-19(9-12-23)28(26-5-2-14-36-26)21-10-13-25-24(16-21)20(17-27(35)34-25)7-6-18-3-1-4-22(15-18)29(31,32)33/h1-17,28H,(H,34,35)/b7-6+.
What are the key properties of 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one?
6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one has a molecular weight of 521.99 g/mol, XLogP of 8.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 118329954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).