4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

C18H16FNO — CID 3158403

IUPAC4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1CC(c2ccccc2F)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C18H16FNO/c19-16-7-2-1-6-13(16)14-10-18(21)20-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,20,21)
InChIKeyYDRIYWMIRZADEV-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.79
Rot. Bonds1

About 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one

4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (PubChem CID 3158403) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
PubChem CID3158403
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
SMILESO=C1CC(c2ccccc2F)c2cc3c(cc2N1)CCC3
InChIInChI=1S/C18H16FNO/c19-16-7-2-1-6-13(16)14-10-18(21)20-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,20,21)
InChIKeyYDRIYWMIRZADEV-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one (CID 3158403) is 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is O=C1CC(c2ccccc2F)c2cc3c(cc2N1)CCC3.
What is the InChIKey of 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
The InChIKey is YDRIYWMIRZADEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c19-16-7-2-1-6-13(16)14-10-18(21)20-17-9-12-5-3-4-11(12)8-15(14)17/h1-2,6-9,14H,3-5,10H2,(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one?
4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one has a molecular weight of 281.33 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 3158403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).