2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione

C17H11FN2O3 — CID 11758694

IUPAC2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)CCc2c(F)cccc21
InChIInChI=1S/C17H11FN2O3/c18-13-6-3-7-14-12(13)8-9-15(21)19(14)20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyVXPKCSXKBGKHRR-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.32
Rot. Bonds1

About 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione

2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione (PubChem CID 11758694) has the molecular formula C17H11FN2O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione
PubChem CID11758694
Molecular FormulaC17H11FN2O3
Molecular Weight310.28 g/mol
Exact Mass310.08
IUPAC Name2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)CCc2c(F)cccc21
InChIInChI=1S/C17H11FN2O3/c18-13-6-3-7-14-12(13)8-9-15(21)19(14)20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2
InChIKeyVXPKCSXKBGKHRR-UHFFFAOYSA-N
XLogP2.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione with MolForge

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Related Compounds

5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 22413807
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
CID 11098803
2-(3-fluoro-2-iodophenyl)isoindole-1,3-dione
CID 114259645
2-(18F)fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 175736121
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275
3-(1,3-dioxoisoindol-2-yl)-1,3-thiazolidine-2,4-dione
CID 3434262
2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
CID 168517670
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518278
1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114930258
2-(5-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127963

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione (CID 11758694) is 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N1C(=O)CCc2c(F)cccc21.
What is the InChIKey of 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione?
The InChIKey is VXPKCSXKBGKHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3/c18-13-6-3-7-14-12(13)8-9-15(21)19(14)20-16(22)10-4-1-2-5-11(10)17(20)23/h1-7H,8-9H2.
What are the key properties of 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione?
2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione has a molecular weight of 310.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 11758694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).