(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one

C20H21FN2O3 — CID 69223676

IUPAC(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H21FN2O3/c1-4-16-20(25)22(5-2)17-10-9-14(21)12-18(17)23(16)19(24)13-7-6-8-15(11-13)26-3/h6-12,16H,4-5H2,1-3H3/t16-/m1/s1
InChIKeyAXUNOWKXKDFMOR-MRXNPFEDSA-N
MW356.40 g/mol
LogP3.63
Rot. Bonds4

About (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one

(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one (PubChem CID 69223676) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
PubChem CID69223676
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
SMILESCC[C@@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1cccc(OC)c1
InChIInChI=1S/C20H21FN2O3/c1-4-16-20(25)22(5-2)17-10-9-14(21)12-18(17)23(16)19(24)13-7-6-8-15(11-13)26-3/h6-12,16H,4-5H2,1-3H3/t16-/m1/s1
InChIKeyAXUNOWKXKDFMOR-MRXNPFEDSA-N
XLogP3.63
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
CID 69221455
(3S)-1,3-diethyl-6-fluoro-4-(4-hydroxybenzoyl)-3H-quinoxalin-2-one
CID 11515674
(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
3-[2-(3-methoxyphenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835683
ethyl (6R)-3-ethyl-6-(3-fluorophenyl)-4-[[4-(3-methoxybenzoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 93139598
(4E)-1-(2,4-difluorophenyl)-5-(4-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108601476
(4-fluoro-2-iodophenyl)-(3-methoxyphenyl)methanone
CID 114029861
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(4E)-1-(2,4-difluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108605338
2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide
CID 23903300

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The IUPAC name of (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one (CID 69223676) is (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one.
What is the SMILES notation for (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The canonical SMILES for (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one is CC[C@@H]1C(=O)N(CC)c2ccc(F)cc2N1C(=O)c1cccc(OC)c1.
What is the InChIKey of (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
The InChIKey is AXUNOWKXKDFMOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-4-16-20(25)22(5-2)17-10-9-14(21)12-18(17)23(16)19(24)13-7-6-8-15(11-13)26-3/h6-12,16H,4-5H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one?
(3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one has a molecular weight of 356.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-diethyl-6-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 69223676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).