1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione

C20H16F2N2O3 — CID 47045966

IUPAC1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C20H16F2N2O3/c21-14-10-13-2-1-9-23(19(13)16(22)11-14)20(27)12-3-5-15(6-4-12)24-17(25)7-8-18(24)26/h3-6,10-11H,1-2,7-9H2
InChIKeyBTDGNFXCEKQNPW-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.21
Rot. Bonds2

About 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione

1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 47045966) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione
PubChem CID47045966
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C20H16F2N2O3/c21-14-10-13-2-1-9-23(19(13)16(22)11-14)20(27)12-3-5-15(6-4-12)24-17(25)7-8-18(24)26/h3-6,10-11H,1-2,7-9H2
InChIKeyBTDGNFXCEKQNPW-UHFFFAOYSA-N
XLogP3.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.21
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 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione (CID 47045966) is 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione is O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCc2cc(F)cc(F)c21.
What is the InChIKey of 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is BTDGNFXCEKQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-14-10-13-2-1-9-23(19(13)16(22)11-14)20(27)12-3-5-15(6-4-12)24-17(25)7-8-18(24)26/h3-6,10-11H,1-2,7-9H2.
What are the key properties of 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione?
1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 370.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 47045966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).