5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one

C23H23F3N2O2 — CID 91480186

IUPAC5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one
SMILESCCC=C(CC(O)(CNc1cccc2[nH]c(=O)ccc12)C(F)(F)F)c1ccccc1
InChIInChI=1S/C23H23F3N2O2/c1-2-7-17(16-8-4-3-5-9-16)14-22(30,23(24,25)26)15-27-19-10-6-11-20-18(19)12-13-21(29)28-20/h3-13,27,30H,2,14-15H2,1H3,(H,28,29)
InChIKeyOMAXBBXDSKOMJY-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.12
Rot. Bonds7

About 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one

5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one (PubChem CID 91480186) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one
PubChem CID91480186
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one
SMILESCCC=C(CC(O)(CNc1cccc2[nH]c(=O)ccc12)C(F)(F)F)c1ccccc1
InChIInChI=1S/C23H23F3N2O2/c1-2-7-17(16-8-4-3-5-9-16)14-22(30,23(24,25)26)15-27-19-10-6-11-20-18(19)12-13-21(29)28-20/h3-13,27,30H,2,14-15H2,1H3,(H,28,29)
InChIKeyOMAXBBXDSKOMJY-UHFFFAOYSA-N
XLogP5.12
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one?
The IUPAC name of 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one (CID 91480186) is 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one?
The canonical SMILES for 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one is CCC=C(CC(O)(CNc1cccc2[nH]c(=O)ccc12)C(F)(F)F)c1ccccc1.
What is the InChIKey of 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one?
The InChIKey is OMAXBBXDSKOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-2-7-17(16-8-4-3-5-9-16)14-22(30,23(24,25)26)15-27-19-10-6-11-20-18(19)12-13-21(29)28-20/h3-13,27,30H,2,14-15H2,1H3,(H,28,29).
What are the key properties of 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one?
5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one has a molecular weight of 416.44 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-4-phenyl-2-(trifluoromethyl)hept-4-enyl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 91480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).