2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one

C21H17FN2O3 — CID 58061518

IUPAC2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(Oc2cnc3cc(F)ccc3n2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C21H17FN2O3/c1-2-12-3-5-14(10-15(12)21-18(25)7-8-19(21)26)27-20-11-23-17-9-13(22)4-6-16(17)24-20/h3-6,9-11,25H,2,7-8H2,1H3
InChIKeyDQYQIYNUZAABAJ-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.76
Rot. Bonds4

About 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one

2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one (PubChem CID 58061518) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one
PubChem CID58061518
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one
SMILESCCc1ccc(Oc2cnc3cc(F)ccc3n2)cc1C1=C(O)CCC1=O
InChIInChI=1S/C21H17FN2O3/c1-2-12-3-5-14(10-15(12)21-18(25)7-8-19(21)26)27-20-11-23-17-9-13(22)4-6-16(17)24-20/h3-6,9-11,25H,2,7-8H2,1H3
InChIKeyDQYQIYNUZAABAJ-UHFFFAOYSA-N
XLogP4.76
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one?
The IUPAC name of 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one (CID 58061518) is 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one?
The canonical SMILES for 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one is CCc1ccc(Oc2cnc3cc(F)ccc3n2)cc1C1=C(O)CCC1=O.
What is the InChIKey of 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one?
The InChIKey is DQYQIYNUZAABAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-2-12-3-5-14(10-15(12)21-18(25)7-8-19(21)26)27-20-11-23-17-9-13(22)4-6-16(17)24-20/h3-6,9-11,25H,2,7-8H2,1H3.
What are the key properties of 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one?
2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one has a molecular weight of 364.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-5-(6-fluoroquinoxalin-2-yl)oxyphenyl]-3-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 58061518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).