2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C20H21FN2O3 — CID 100978088

IUPAC2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCCCN1C(=O)CCc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIInChI=1S/C20H21FN2O3/c1-2-9-22-16-11-17(15(21)10-12(16)7-8-18(22)24)23-19(25)13-5-3-4-6-14(13)20(23)26/h10-11H,2-9H2,1H3
InChIKeyPYCUICNGXNJQBP-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.26
Rot. Bonds3

About 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 100978088) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID100978088
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESCCCN1C(=O)CCc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIInChI=1S/C20H21FN2O3/c1-2-9-22-16-11-17(15(21)10-12(16)7-8-18(22)24)23-19(25)13-5-3-4-6-14(13)20(23)26/h10-11H,2-9H2,1H3
InChIKeyPYCUICNGXNJQBP-UHFFFAOYSA-N
XLogP3.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 100978088) is 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is CCCN1C(=O)CCc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21.
What is the InChIKey of 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is PYCUICNGXNJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-9-22-16-11-17(15(21)10-12(16)7-8-18(22)24)23-19(25)13-5-3-4-6-14(13)20(23)26/h10-11H,2-9H2,1H3.
What are the key properties of 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 356.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-oxo-1-propyl-3,4-dihydroquinolin-7-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 100978088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).