2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

C21H19FN2O3 — CID 645662

IUPAC2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H19FN2O3/c1-12-7-8-14-11-15(22)9-10-18(14)23(12)19(25)13(2)24-20(26)16-5-3-4-6-17(16)21(24)27/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKRPNKIPFHBXENJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.18
Rot. Bonds2

About 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 645662) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID645662
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H19FN2O3/c1-12-7-8-14-11-15(22)9-10-18(14)23(12)19(25)13(2)24-20(26)16-5-3-4-6-17(16)21(24)27/h3-6,9-13H,7-8H2,1-2H3
InChIKeyKRPNKIPFHBXENJ-UHFFFAOYSA-N
XLogP3.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.18
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-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 645662) is 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is CC(C(=O)N1c2ccc(F)cc2CCC1C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is KRPNKIPFHBXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-7-8-14-11-15(22)9-10-18(14)23(12)19(25)13(2)24-20(26)16-5-3-4-6-17(16)21(24)27/h3-6,9-13H,7-8H2,1-2H3.
What are the key properties of 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 366.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 645662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).