3-phenyl-1-prop-2-enylquinoline-2,4-dione

C18H15NO2 — CID 117066362

IUPAC3-phenyl-1-prop-2-enylquinoline-2,4-dione
SMILESC=CCN1C(=O)C(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-2-12-19-15-11-7-6-10-14(15)17(20)16(18(19)21)13-8-4-3-5-9-13/h2-11,16H,1,12H2
InChIKeyBIGJBQFOZAMKDI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.19
Rot. Bonds3

About 3-phenyl-1-prop-2-enylquinoline-2,4-dione

3-phenyl-1-prop-2-enylquinoline-2,4-dione (PubChem CID 117066362) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-phenyl-1-prop-2-enylquinoline-2,4-dione.

Molecular Properties

Compound Name3-phenyl-1-prop-2-enylquinoline-2,4-dione
PubChem CID117066362
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-phenyl-1-prop-2-enylquinoline-2,4-dione
SMILESC=CCN1C(=O)C(c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-2-12-19-15-11-7-6-10-14(15)17(20)16(18(19)21)13-8-4-3-5-9-13/h2-11,16H,1,12H2
InChIKeyBIGJBQFOZAMKDI-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-2,4-dioxo-1-prop-2-enylquinoline-3-carboxylic acid
CID 835051
sodium 5-phenyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 54600111
(3E)-3-(2-oxo-1-prop-2-enylindol-3-ylidene)-1-prop-2-enylindol-2-one
CID 102050008
(3aR,4S,7R,7aS)-4,7-diphenyl-2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 691934
5-prop-2-enyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 75238889
3-ethyl-1-prop-2-enyl-3H-indol-2-one
CID 15047278
4-phenyl-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione
CID 177308189
6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157494
2-(2-oxo-1-prop-2-enylindol-3-ylidene)propanedinitrile
CID 3514476
5-(4-fluorophenyl)-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 112599479
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
(3E)-3-(2-adamantylidenehydrazinylidene)-1-prop-2-enylindol-2-one
CID 9216091

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-prop-2-enylquinoline-2,4-dione?
The IUPAC name of 3-phenyl-1-prop-2-enylquinoline-2,4-dione (CID 117066362) is 3-phenyl-1-prop-2-enylquinoline-2,4-dione.
What is the SMILES notation for 3-phenyl-1-prop-2-enylquinoline-2,4-dione?
The canonical SMILES for 3-phenyl-1-prop-2-enylquinoline-2,4-dione is C=CCN1C(=O)C(c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 3-phenyl-1-prop-2-enylquinoline-2,4-dione?
The InChIKey is BIGJBQFOZAMKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-12-19-15-11-7-6-10-14(15)17(20)16(18(19)21)13-8-4-3-5-9-13/h2-11,16H,1,12H2.
What are the key properties of 3-phenyl-1-prop-2-enylquinoline-2,4-dione?
3-phenyl-1-prop-2-enylquinoline-2,4-dione has a molecular weight of 277.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-prop-2-enylquinoline-2,4-dione is sourced from PubChem (CID 117066362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).