5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one

C21H18FNO2 — CID 122537812

IUPAC5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one
SMILESCc1c(-c2ccccc2F)c2cc3c(C)coc3c(C)c2n(C)c1=O
InChIInChI=1S/C21H18FNO2/c1-11-10-25-20-13(3)19-16(9-15(11)20)18(12(2)21(24)23(19)4)14-7-5-6-8-17(14)22/h5-10H,1-4H3
InChIKeyHUOSZKIVLACUPC-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.02
Rot. Bonds1

About 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one

5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one (PubChem CID 122537812) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one
PubChem CID122537812
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one
SMILESCc1c(-c2ccccc2F)c2cc3c(C)coc3c(C)c2n(C)c1=O
InChIInChI=1S/C21H18FNO2/c1-11-10-25-20-13(3)19-16(9-15(11)20)18(12(2)21(24)23(19)4)14-7-5-6-8-17(14)22/h5-10H,1-4H3
InChIKeyHUOSZKIVLACUPC-UHFFFAOYSA-N
XLogP5.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one?
The IUPAC name of 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one (CID 122537812) is 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one.
What is the SMILES notation for 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one?
The canonical SMILES for 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one is Cc1c(-c2ccccc2F)c2cc3c(C)coc3c(C)c2n(C)c1=O.
What is the InChIKey of 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one?
The InChIKey is HUOSZKIVLACUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-11-10-25-20-13(3)19-16(9-15(11)20)18(12(2)21(24)23(19)4)14-7-5-6-8-17(14)22/h5-10H,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one?
5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one has a molecular weight of 335.38 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3,6,8,9-tetramethylfuro[3,2-g]quinolin-7-one is sourced from PubChem (CID 122537812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).