1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone

C25H24N2O4 — CID 95785407

IUPAC1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-19-16-26(24(28)17-30-20-10-4-2-5-11-20)22-14-8-9-15-23(22)27(19)25(29)18-31-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3/t19-/m1/s1
InChIKeyUBSCLBVEFYVOTF-LJQANCHMSA-N
MW416.48 g/mol
LogP3.91
Rot. Bonds6

About 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone

1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone (PubChem CID 95785407) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
PubChem CID95785407
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
SMILESC[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1
InChIInChI=1S/C25H24N2O4/c1-19-16-26(24(28)17-30-20-10-4-2-5-11-20)22-14-8-9-15-23(22)27(19)25(29)18-31-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3/t19-/m1/s1
InChIKeyUBSCLBVEFYVOTF-LJQANCHMSA-N
XLogP3.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

1-[(3S)-4-acetyl-3-methyl-7-quinolin-6-yl-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone
CID 118078945
1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-phenoxyethanone
CID 136526912
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-phenoxyethanone
CID 112781425
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
1-(6-methoxy-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenoxyethanone
CID 132516430
3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444567
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 2444569
4-(2-phenoxyacetyl)-2,3-dihydro-1,4-benzoxazine-2-carbohydrazide
CID 133185734
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone (CID 95785407) is 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone is C[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2N1C(=O)COc1ccccc1.
What is the InChIKey of 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone?
The InChIKey is UBSCLBVEFYVOTF-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-19-16-26(24(28)17-30-20-10-4-2-5-11-20)22-14-8-9-15-23(22)27(19)25(29)18-31-21-12-6-3-7-13-21/h2-15,19H,16-18H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone?
1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone has a molecular weight of 416.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-4-(2-phenoxyacetyl)-2,3-dihydroquinoxalin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 95785407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).