1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione

C21H23N3O5S — CID 5303633

IUPAC1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
SMILESCC1C(c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H23N3O5S/c1-14-19(15-7-5-4-6-8-15)29-12-11-24(14)30(27,28)16-9-10-17-18(13-16)23(3)21(26)20(25)22(17)2/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyJMCAFHDDCDQCDJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.39
Rot. Bonds3

About 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione

1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione (PubChem CID 5303633) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
PubChem CID5303633
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione
SMILESCC1C(c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H23N3O5S/c1-14-19(15-7-5-4-6-8-15)29-12-11-24(14)30(27,28)16-9-10-17-18(13-16)23(3)21(26)20(25)22(17)2/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyJMCAFHDDCDQCDJ-UHFFFAOYSA-N
XLogP1.39
TPSA90.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-4-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-2-phenylmorpholine
CID 7353221
3-methyl-2-phenyl-4-propylsulfonylmorpholine
CID 110728469
3-methyl-4-[(4-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110728479
3-methyl-5-(2-phenylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 71806101
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
1,4-dimethyl-6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylquinoxaline-2,3-dione
CID 3244269
1-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15944827
3-methyl-6-(2-methylmorpholin-4-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110292469
1,3-dimethyl-5-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]sulfonylbenzimidazol-2-one
CID 163316215
3-methyl-6-(4-methyl-3-phenylpiperazin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 110602902
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione?
The IUPAC name of 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione (CID 5303633) is 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione?
The canonical SMILES for 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione is CC1C(c2ccccc2)OCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione?
The InChIKey is JMCAFHDDCDQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14-19(15-7-5-4-6-8-15)29-12-11-24(14)30(27,28)16-9-10-17-18(13-16)23(3)21(26)20(25)22(17)2/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione?
1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione has a molecular weight of 429.50 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(3-methyl-2-phenylmorpholin-4-yl)sulfonylquinoxaline-2,3-dione is sourced from PubChem (CID 5303633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).