1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one

C18H20FN3O — CID 71993544

IUPAC1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2ccccn2)c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O/c1-21-11-12-22(16-9-8-14(19)13-17(16)21)18(23)7-4-6-15-5-2-3-10-20-15/h2-3,5,8-10,13H,4,6-7,11-12H2,1H3
InChIKeyLSQOHRCIDSVXES-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.03
Rot. Bonds4

About 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one

1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one (PubChem CID 71993544) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
PubChem CID71993544
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one
SMILESCN1CCN(C(=O)CCCc2ccccn2)c2ccc(F)cc21
InChIInChI=1S/C18H20FN3O/c1-21-11-12-22(16-9-8-14(19)13-17(16)21)18(23)7-4-6-15-5-2-3-10-20-15/h2-3,5,8-10,13H,4,6-7,11-12H2,1H3
InChIKeyLSQOHRCIDSVXES-UHFFFAOYSA-N
XLogP3.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one (CID 71993544) is 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one is CN1CCN(C(=O)CCCc2ccccn2)c2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one?
The InChIKey is LSQOHRCIDSVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-11-12-22(16-9-8-14(19)13-17(16)21)18(23)7-4-6-15-5-2-3-10-20-15/h2-3,5,8-10,13H,4,6-7,11-12H2,1H3.
What are the key properties of 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one?
1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one has a molecular weight of 313.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 71993544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).