4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one

C19H12F3NO3 — CID 72545559

IUPAC4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)12-8-5-11(6-9-12)7-10-15(24)16-17(25)13-3-1-2-4-14(13)23-18(16)26/h1-10H,(H2,23,25,26)/b10-7+
InChIKeyGXYFGKRFLYJZPH-JXMROGBWSA-N
MW359.30 g/mol
LogP4.15
Rot. Bonds3

About 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one

4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one (PubChem CID 72545559) has the molecular formula C19H12F3NO3 and a molecular weight of 359.30 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one
PubChem CID72545559
Molecular FormulaC19H12F3NO3
Molecular Weight359.30 g/mol
Exact Mass359.08
IUPAC Name4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H12F3NO3/c20-19(21,22)12-8-5-11(6-9-12)7-10-15(24)16-17(25)13-3-1-2-4-14(13)23-18(16)26/h1-10H,(H2,23,25,26)/b10-7+
InChIKeyGXYFGKRFLYJZPH-JXMROGBWSA-N
XLogP4.15
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one (CID 72545559) is 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one is O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is GXYFGKRFLYJZPH-JXMROGBWSA-N. The full InChI is InChI=1S/C19H12F3NO3/c20-19(21,22)12-8-5-11(6-9-12)7-10-15(24)16-17(25)13-3-1-2-4-14(13)23-18(16)26/h1-10H,(H2,23,25,26)/b10-7+.
What are the key properties of 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one?
4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 359.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 72545559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).