4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

C23H15FN2O2 — CID 153281790

IUPAC4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H15FN2O2/c24-16-10-8-15(9-11-16)21-18-6-1-2-7-19(18)26-23(28)22(21)20(27)13-12-17-5-3-4-14-25-17/h1-14H,(H,26,28)/b13-12+
InChIKeyOAKOVENJQUMSSP-OUKQBFOZSA-N
MW370.38 g/mol
LogP4.63
Rot. Bonds4

About 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 153281790) has the molecular formula C23H15FN2O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
PubChem CID153281790
Molecular FormulaC23H15FN2O2
Molecular Weight370.38 g/mol
Exact Mass370.11
IUPAC Name4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccccn1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C23H15FN2O2/c24-16-10-8-15(9-11-16)21-18-6-1-2-7-19(18)26-23(28)22(21)20(27)13-12-17-5-3-4-14-25-17/h1-14H,(H,26,28)/b13-12+
InChIKeyOAKOVENJQUMSSP-OUKQBFOZSA-N
XLogP4.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3131553
4-phenyl-3-[(E)-3-pyridin-4-ylprop-2-enoyl]-1H-quinolin-2-one
CID 75538876
4-phenyl-3-(3-quinolin-7-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3563965
4-(4-fluorophenyl)-3-(2-methylpropanoyl)-1H-quinolin-2-one
CID 166442469
6-chloro-4-phenyl-3-(3-pyrazin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 140843187
4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(5-bromo-3-pyridinyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-chloro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
CID 159667071
5-[6-chloro-2-oxo-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-4-yl]pyridine-3-carbonitrile
CID 134247920
6-fluoro-3-[(E)-3-(6-fluoro-1H-benzimidazol-2-yl)prop-2-enoyl]-4-(4-fluorophenyl)-1H-quinolin-2-one
CID 73212037
3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134093690
6-chloro-3-[3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 138107763
3-acetyl-6-fluoro-4-phenyl-1H-quinolin-2-one;6-fluoro-4-phenyl-3-[(E)-3-pyridazin-4-ylprop-2-enoyl]-1H-quinolin-2-one;pyridazine-4-carbaldehyde
CID 158897873
3-[3-(1H-benzimidazol-2-yl)prop-2-enoyl]-4-phenyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 140843151

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (CID 153281790) is 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is O=C(/C=C/c1ccccn1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is OAKOVENJQUMSSP-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H15FN2O2/c24-16-10-8-15(9-11-16)21-18-6-1-2-7-19(18)26-23(28)22(21)20(27)13-12-17-5-3-4-14-25-17/h1-14H,(H,26,28)/b13-12+.
What are the key properties of 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?
4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 370.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 153281790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).