1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C22H19FN2O3 — CID 118080057

IUPAC1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(F)cc3)cc2N(C(=O)c2ccco2)C[C@@H]1C
InChIInChI=1S/C22H19FN2O3/c1-14-13-24(22(27)21-4-3-11-28-21)20-12-17(16-5-8-18(23)9-6-16)7-10-19(20)25(14)15(2)26/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyRIUYVWGCVNUKNE-AWEZNQCLSA-N
MW378.40 g/mol
LogP4.49
Rot. Bonds2

About 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118080057) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118080057
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3ccc(F)cc3)cc2N(C(=O)c2ccco2)C[C@@H]1C
InChIInChI=1S/C22H19FN2O3/c1-14-13-24(22(27)21-4-3-11-28-21)20-12-17(16-5-8-18(23)9-6-16)7-10-19(20)25(14)15(2)26/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyRIUYVWGCVNUKNE-AWEZNQCLSA-N
XLogP4.49
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-phenyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079690
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-[4-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079116
4-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-N-methylbenzenesulfonamide
CID 118080365
1-[4-(furan-2-carbonyl)-2-methyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123620645
5-[(2S)-1-acetyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-6-yl]-1,3-dimethylbenzimidazol-2-one
CID 118079335
1-[(2S)-6-[3-(dimethylamino)phenyl]-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079242
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079424
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078994
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylbenzimidazol-5-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079623
1-[4-(furan-2-carbonyl)-6-[4-[1-(2-hydroxyethylamino)ethenyl]phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340731
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(2-methyltriazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079754
1-[6-(5-aminopyrazin-2-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146341058

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118080057) is 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(-c3ccc(F)cc3)cc2N(C(=O)c2ccco2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is RIUYVWGCVNUKNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-14-13-24(22(27)21-4-3-11-28-21)20-12-17(16-5-8-18(23)9-6-16)7-10-19(20)25(14)15(2)26/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 378.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-(4-fluorophenyl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118080057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).