4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one

C15H12FNO — CID 134382066

IUPAC4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C15H12FNO/c16-14-3-1-2-13-12(8-9-17-15(13)14)10-4-6-11(18)7-5-10/h1-4,8-9H,5-7H2
InChIKeyPEAFKEAYTLXDSG-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.51
Rot. Bonds1

About 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one

4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one (PubChem CID 134382066) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one
PubChem CID134382066
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C15H12FNO/c16-14-3-1-2-13-12(8-9-17-15(13)14)10-4-6-11(18)7-5-10/h1-4,8-9H,5-7H2
InChIKeyPEAFKEAYTLXDSG-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one?
The IUPAC name of 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one (CID 134382066) is 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one is O=C1CC=C(c2ccnc3c(F)cccc23)CC1.
What is the InChIKey of 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one?
The InChIKey is PEAFKEAYTLXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-3-1-2-13-12(8-9-17-15(13)14)10-4-6-11(18)7-5-10/h1-4,8-9H,5-7H2.
What are the key properties of 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one?
4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one has a molecular weight of 241.27 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one is sourced from PubChem (CID 134382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).