5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione

C22H20FNO3 — CID 102381886

IUPAC5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione
SMILESCCCCC12OC(=O)C(F)=C1c1ccccc1N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H20FNO3/c1-2-3-13-22-18(19(23)20(25)27-22)16-11-7-8-12-17(16)24(21(22)26)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKeyGANSPNWSTDSMST-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.40
Rot. Bonds5

About 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione

5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione (PubChem CID 102381886) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione
PubChem CID102381886
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione
SMILESCCCCC12OC(=O)C(F)=C1c1ccccc1N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H20FNO3/c1-2-3-13-22-18(19(23)20(25)27-22)16-11-7-8-12-17(16)24(21(22)26)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKeyGANSPNWSTDSMST-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-butyl-3-chloroquinoline-2,4-dione
CID 139216410
1-benzyl-3-butyl-3-hydroxyquinoline-2,4-dione
CID 12033042
[2-(1-benzyl-3-butyl-2,4-dioxoquinolin-3-yl)oxy-2-oxoethyl]-triphenylphosphanium
CID 102381883
5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one
CID 132505249
1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
CID 11428277
1-benzyl-3-butyl-3H-indol-2-one
CID 134908411
(2Z)-2-(1-benzyl-2-oxoindol-3-ylidene)hexanenitrile
CID 102387405
1-benzyl-3-propan-2-ylideneindol-2-one
CID 86011493
1-butyl-3-chloro-3-phenylquinoline-2,4-dione
CID 2780323
(3R)-1-benzyl-3-hydroxy-3-[(2S)-octan-2-yl]indol-2-one
CID 134947968
3-butyl-3-chloro-1-phenylquinoline-2,4-dione
CID 15034501
(3R)-1-butyl-3-chloro-3-methylquinoline-2,4-dione
CID 7003892

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione?
The IUPAC name of 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione (CID 102381886) is 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione.
What is the SMILES notation for 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione?
The canonical SMILES for 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione is CCCCC12OC(=O)C(F)=C1c1ccccc1N(Cc1ccccc1)C2=O.
What is the InChIKey of 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione?
The InChIKey is GANSPNWSTDSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-2-3-13-22-18(19(23)20(25)27-22)16-11-7-8-12-17(16)24(21(22)26)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione?
5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione has a molecular weight of 365.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3a-butyl-1-fluorofuro[2,3-c]quinoline-2,4-dione is sourced from PubChem (CID 102381886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).