2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione

C22H17FN2O2 — CID 66633330

IUPAC2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESC/C=C/c1nc2cc(F)ccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17FN2O2/c1-3-6-19-18(11-14-9-10-15(23)12-20(14)24-19)13(2)25-21(26)16-7-4-5-8-17(16)22(25)27/h3-13H,1-2H3/b6-3+/t13-/m0/s1
InChIKeyJOZQPUSCXXEPBX-YIALFULDSA-N
MW360.39 g/mol
LogP4.76
Rot. Bonds3

About 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione

2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 66633330) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID66633330
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione
SMILESC/C=C/c1nc2cc(F)ccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H17FN2O2/c1-3-6-19-18(11-14-9-10-15(23)12-20(14)24-19)13(2)25-21(26)16-7-4-5-8-17(16)22(25)27/h3-13H,1-2H3/b6-3+/t13-/m0/s1
InChIKeyJOZQPUSCXXEPBX-YIALFULDSA-N
XLogP4.76
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione;2-[(1S)-1-(7-fluoro-2-propylquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 159245701
2-[(1S)-1-(2-benzyl-7-fluoroquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 66634277
2-[1-(2-benzyl-7-fluoroquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 66633915
2-[(1S)-1-(2-chloro-7-fluoroquinolin-3-yl)ethyl]isoindole-1,3-dione;2-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 159326068
2-[1-[3-(3,5-difluorophenyl)-6-fluoro-4-methylsulfanylquinolin-2-yl]ethyl]isoindole-1,3-dione
CID 59634739
2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
CID 58318641
2-[(1S)-1-[2-[[ethyl(methyl)amino]methyl]-7-iodoquinolin-3-yl]ethyl]isoindole-1,3-dione
CID 68634848
2-(1-bromoethyl)-6-fluoro-4-methoxy-3-phenylquinoline;2-[1-(6-fluoro-4-methoxy-3-phenylquinolin-2-yl)ethyl]isoindole-1,3-dione
CID 159633077
2-[(1S)-1-[2-(difluoromethoxy)phenyl]ethyl]isoindole-1,3-dione
CID 118168964
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[1-[4-(3,5-difluorophenyl)-8-fluoroquinolin-3-yl]ethyl]isoindole-1,3-dione
CID 67516074
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium
CID 8687913

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione (CID 66633330) is 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione is C/C=C/c1nc2cc(F)ccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is JOZQPUSCXXEPBX-YIALFULDSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-3-6-19-18(11-14-9-10-15(23)12-20(14)24-19)13(2)25-21(26)16-7-4-5-8-17(16)22(25)27/h3-13H,1-2H3/b6-3+/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione?
2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 360.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[7-fluoro-2-[(E)-prop-1-enyl]quinolin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 66633330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).