3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one

C19H15NO2 — CID 162395799

IUPAC3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
SMILESCC(=O)c1c(/C=C/c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H15NO2/c1-13(21)18-16(12-11-14-7-3-2-4-8-14)15-9-5-6-10-17(15)20-19(18)22/h2-12H,1H3,(H,20,22)/b12-11+
InChIKeyTYEMDHCLYMBPNU-VAWYXSNFSA-N
MW289.33 g/mol
LogP3.90
Rot. Bonds3

About 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one

3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one (PubChem CID 162395799) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
PubChem CID162395799
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
SMILESCC(=O)c1c(/C=C/c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C19H15NO2/c1-13(21)18-16(12-11-14-7-3-2-4-8-14)15-9-5-6-10-17(15)20-19(18)22/h2-12H,1H3,(H,20,22)/b12-11+
InChIKeyTYEMDHCLYMBPNU-VAWYXSNFSA-N
XLogP3.90
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzoyl-4-[(E)-2-(4-chlorophenyl)ethenyl]-1H-quinolin-2-one
CID 155809362
3-acetyl-4-methyl-1H-quinolin-2-one
CID 102153269
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
acetic acid;stilbene
CID 172803728
3-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-phenylethenyl]-1H-indole
CID 122628074
2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 122628095
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
(E)-4-(2-methyl-1H-indol-3-yl)but-3-en-2-one
CID 960498
4-[(E)-but-1-enyl]-3-hydroxy-1H-quinolin-2-one
CID 142398582
(E)-2-methyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 116866126
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940
1-[2,3-diacetyl-5-(2-phenylethenyl)phenyl]ethanone
CID 91565814

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one (CID 162395799) is 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one is CC(=O)c1c(/C=C/c2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one?
The InChIKey is TYEMDHCLYMBPNU-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13(21)18-16(12-11-14-7-3-2-4-8-14)15-9-5-6-10-17(15)20-19(18)22/h2-12H,1H3,(H,20,22)/b12-11+.
What are the key properties of 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one?
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one is sourced from PubChem (CID 162395799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).