1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C24H35N3O3 — CID 146226531

IUPAC1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CC(C)ON2C2CCCCCCC2)C[C@@H]1C
InChIInChI=1S/C24H35N3O3/c1-17-16-25(21-13-9-10-14-22(21)26(17)19(3)28)24(29)23-15-18(2)30-27(23)20-11-7-5-4-6-8-12-20/h9-10,13-14,17-18,20,23H,4-8,11-12,15-16H2,1-3H3/t17-,18?,23?/m0/s1
InChIKeyMFDOCBMTSCXFMV-VVESCEMWSA-N
MW413.56 g/mol
LogP4.28
Rot. Bonds2

About 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 146226531) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID146226531
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CC(C)ON2C2CCCCCCC2)C[C@@H]1C
InChIInChI=1S/C24H35N3O3/c1-17-16-25(21-13-9-10-14-22(21)26(17)19(3)28)24(29)23-15-18(2)30-27(23)20-11-7-5-4-6-8-12-20/h9-10,13-14,17-18,20,23H,4-8,11-12,15-16H2,1-3H3/t17-,18?,23?/m0/s1
InChIKeyMFDOCBMTSCXFMV-VVESCEMWSA-N
XLogP4.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 146226531) is 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)C2CC(C)ON2C2CCCCCCC2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is MFDOCBMTSCXFMV-VVESCEMWSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17-16-25(21-13-9-10-14-22(21)26(17)19(3)28)24(29)23-15-18(2)30-27(23)20-11-7-5-4-6-8-12-20/h9-10,13-14,17-18,20,23H,4-8,11-12,15-16H2,1-3H3/t17-,18?,23?/m0/s1.
What are the key properties of 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 413.56 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 146226531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).