3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one

C18H17FN2O3 — CID 69240178

IUPAC3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccc(F)cc2N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17FN2O3/c1-3-15-17(22)20-14-9-6-12(19)10-16(14)21(15)18(23)11-4-7-13(24-2)8-5-11/h4-10,15H,3H2,1-2H3,(H,20,22)
InChIKeyCDIFJZXVRJRPSZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.21
Rot. Bonds3

About 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one

3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 69240178) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID69240178
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccc(F)cc2N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17FN2O3/c1-3-15-17(22)20-14-9-6-12(19)10-16(14)21(15)18(23)11-4-7-13(24-2)8-5-11/h4-10,15H,3H2,1-2H3,(H,20,22)
InChIKeyCDIFJZXVRJRPSZ-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one (CID 69240178) is 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one is CCC1C(=O)Nc2ccc(F)cc2N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is CDIFJZXVRJRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-15-17(22)20-14-9-6-12(19)10-16(14)21(15)18(23)11-4-7-13(24-2)8-5-11/h4-10,15H,3H2,1-2H3,(H,20,22).
What are the key properties of 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one?
3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 328.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-4-(4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 69240178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).