(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one

C12H11N3O4 — CID 167948208

IUPAC(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1CN(C(=O)[C@@H]2COC(=O)N2)c2ccccc2N1
InChIInChI=1S/C12H11N3O4/c16-10-5-15(9-4-2-1-3-7(9)13-10)11(17)8-6-19-12(18)14-8/h1-4,8H,5-6H2,(H,13,16)(H,14,18)/t8-/m0/s1
InChIKeyVPGWMOSLICTMBW-QMMMGPOBSA-N
MW261.24 g/mol
LogP0.08
Rot. Bonds1

About (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one

(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 167948208) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
PubChem CID167948208
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
SMILESO=C1CN(C(=O)[C@@H]2COC(=O)N2)c2ccccc2N1
InChIInChI=1S/C12H11N3O4/c16-10-5-15(9-4-2-1-3-7(9)13-10)11(17)8-6-19-12(18)14-8/h1-4,8H,5-6H2,(H,13,16)(H,14,18)/t8-/m0/s1
InChIKeyVPGWMOSLICTMBW-QMMMGPOBSA-N
XLogP0.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[2-(1,1-dioxothiolan-3-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 60669141
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17491566
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one (CID 167948208) is (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one is O=C1CN(C(=O)[C@@H]2COC(=O)N2)c2ccccc2N1.
What is the InChIKey of (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is VPGWMOSLICTMBW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10-5-15(9-4-2-1-3-7(9)13-10)11(17)8-6-19-12(18)14-8/h1-4,8H,5-6H2,(H,13,16)(H,14,18)/t8-/m0/s1.
What are the key properties of (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 261.24 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 167948208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).