(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one

C19H19FN2O3 — CID 11515674

IUPAC(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C19H19FN2O3/c1-3-15-19(25)21(4-2)16-10-7-13(20)11-17(16)22(15)18(24)12-5-8-14(23)9-6-12/h5-11,15,23H,3-4H2,1-2H3/t15-/m0/s1
InChIKeyNFHCJLZRYDFYFT-HNNXBMFYSA-N
MW342.37 g/mol
LogP3.32
Rot. Bonds3

About (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one

(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one (PubChem CID 11515674) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
PubChem CID11515674
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1ccc(O)cc1
InChIInChI=1S/C19H19FN2O3/c1-3-15-19(25)21(4-2)16-10-7-13(20)11-17(16)22(15)18(24)12-5-8-14(23)9-6-12/h5-11,15,23H,3-4H2,1-2H3/t15-/m0/s1
InChIKeyNFHCJLZRYDFYFT-HNNXBMFYSA-N
XLogP3.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one?
The IUPAC name of (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one (CID 11515674) is (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one.
What is the SMILES notation for (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one?
The canonical SMILES for (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one is CC[C@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1ccc(O)cc1.
What is the InChIKey of (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one?
The InChIKey is NFHCJLZRYDFYFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-3-15-19(25)21(4-2)16-10-7-13(20)11-17(16)22(15)18(24)12-5-8-14(23)9-6-12/h5-11,15,23H,3-4H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one?
(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one has a molecular weight of 342.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 11515674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).