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

C19H25N3O4 — CID 146226497

IUPAC1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3NCCO3)cc2N(C(=O)C2CCCO2)C[C@@H]1C
InChIInChI=1S/C19H25N3O4/c1-12-11-21(19(24)17-4-3-8-25-17)16-10-14(18-20-7-9-26-18)5-6-15(16)22(12)13(2)23/h5-6,10,12,17-18,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18?/m0/s1
InChIKeyATLLPLBHOUOKME-KAMYHZANSA-N
MW359.43 g/mol
LogP1.57
Rot. Bonds2

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

1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146226497) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID146226497
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(C3NCCO3)cc2N(C(=O)C2CCCO2)C[C@@H]1C
InChIInChI=1S/C19H25N3O4/c1-12-11-21(19(24)17-4-3-8-25-17)16-10-14(18-20-7-9-26-18)5-6-15(16)22(12)13(2)23/h5-6,10,12,17-18,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18?/m0/s1
InChIKeyATLLPLBHOUOKME-KAMYHZANSA-N
XLogP1.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146226497) is 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccc(C3NCCO3)cc2N(C(=O)C2CCCO2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is ATLLPLBHOUOKME-KAMYHZANSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-11-21(19(24)17-4-3-8-25-17)16-10-14(18-20-7-9-26-18)5-6-15(16)22(12)13(2)23/h5-6,10,12,17-18,20H,3-4,7-9,11H2,1-2H3/t12-,17?,18?/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-6-(1,3-oxazolidin-2-yl)-4-(oxolane-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146226497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).