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

C28H19ClFNOS — CID 118329949

IUPAC6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2cccc(F)c2)c2cc(C(c3ccc(Cl)cc3)c3ccsc3)ccc2[nH]1
InChIInChI=1S/C28H19ClFNOS/c29-23-9-6-19(7-10-23)28(22-12-13-33-17-22)21-8-11-26-25(15-21)20(16-27(32)31-26)5-4-18-2-1-3-24(30)14-18/h1-17,28H,(H,31,32)/b5-4+
InChIKeyUBMUTLRXUXSMNV-SNAWJCMRSA-N
MW471.98 g/mol
LogP7.73
Rot. Bonds5

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

6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one (PubChem CID 118329949) has the molecular formula C28H19ClFNOS and a molecular weight of 471.98 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one
PubChem CID118329949
Molecular FormulaC28H19ClFNOS
Molecular Weight471.98 g/mol
Exact Mass471.09
IUPAC Name6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one
SMILESO=c1cc(/C=C/c2cccc(F)c2)c2cc(C(c3ccc(Cl)cc3)c3ccsc3)ccc2[nH]1
InChIInChI=1S/C28H19ClFNOS/c29-23-9-6-19(7-10-23)28(22-12-13-33-17-22)21-8-11-26-25(15-21)20(16-27(32)31-26)5-4-18-2-1-3-24(30)14-18/h1-17,28H,(H,31,32)/b5-4+
InChIKeyUBMUTLRXUXSMNV-SNAWJCMRSA-N
XLogP7.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.98
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one (CID 118329949) is 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one is O=c1cc(/C=C/c2cccc(F)c2)c2cc(C(c3ccc(Cl)cc3)c3ccsc3)ccc2[nH]1.
What is the InChIKey of 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one?
The InChIKey is UBMUTLRXUXSMNV-SNAWJCMRSA-N. The full InChI is InChI=1S/C28H19ClFNOS/c29-23-9-6-19(7-10-23)28(22-12-13-33-17-22)21-8-11-26-25(15-21)20(16-27(32)31-26)5-4-18-2-1-3-24(30)14-18/h1-17,28H,(H,31,32)/b5-4+.
What are the key properties of 6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one?
6-[(4-chlorophenyl)-thiophen-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one has a molecular weight of 471.98 g/mol, XLogP of 7.73, 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-3-ylmethyl]-4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 118329949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).