(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one

C25H23FN2O3 — CID 69221455

IUPAC(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@@H]1C(=O)N(Cc2ccccc2)c2cc(F)ccc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C25H23FN2O3/c1-3-21-25(30)27(16-17-8-5-4-6-9-17)23-15-19(26)12-13-22(23)28(21)24(29)18-10-7-11-20(14-18)31-2/h4-15,21H,3,16H2,1-2H3/t21-/m1/s1
InChIKeyHHXXMOGJBIYJKH-OAQYLSRUSA-N
MW418.47 g/mol
LogP4.81
Rot. Bonds5

About (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one

(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one (PubChem CID 69221455) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
PubChem CID69221455
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC Name(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@@H]1C(=O)N(Cc2ccccc2)c2cc(F)ccc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C25H23FN2O3/c1-3-21-25(30)27(16-17-8-5-4-6-9-17)23-15-19(26)12-13-22(23)28(21)24(29)18-10-7-11-20(14-18)31-2/h4-15,21H,3,16H2,1-2H3/t21-/m1/s1
InChIKeyHHXXMOGJBIYJKH-OAQYLSRUSA-N
XLogP4.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one with MolForge

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Related Compounds

(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
CID 69223676
(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
CID 11515674
(3R)-3-ethyl-6-fluoro-4-(4-hydroxybenzoyl)-1-propyl-3H-quinoxalin-2-one
CID 69223185
(1R,5S)-7-[(3-fluorophenyl)methyl]-2-(3-methoxybenzoyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146118263
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1'-benzyl-5'-chloro-3-(3-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015597
4-benzyl-7-methoxy-2-methyl-1,4-benzothiazin-3-one
CID 126471107
3-[(4-fluorophenyl)methyl]-7-(3-methoxybenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 122172188
1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one
CID 67715732
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
3-amino-1-[(3-methoxyphenyl)methyl]-3H-indol-2-one
CID 43254974
(2R)-1'-benzyl-3-(3-methoxybenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180554

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The IUPAC name of (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one (CID 69221455) is (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one is CC[C@@H]1C(=O)N(Cc2ccccc2)c2cc(F)ccc2N1C(=O)c1cccc(OC)c1.
What is the InChIKey of (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The InChIKey is HHXXMOGJBIYJKH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-3-21-25(30)27(16-17-8-5-4-6-9-17)23-15-19(26)12-13-22(23)28(21)24(29)18-10-7-11-20(14-18)31-2/h4-15,21H,3,16H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one has a molecular weight of 418.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 69221455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).