3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione

C18H22N4O2 — CID 158761114

IUPAC3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(C)c(N)c(N)c1.Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O2.C8H12N2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8;1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3,(H,11,13)(H,12,14);3-4H,9-10H2,1-2H3
InChIKeyIORIXOYGFRXUMZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds

About 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione

3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 158761114) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID158761114
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(C)c(N)c(N)c1.Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O2.C8H12N2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8;1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3,(H,11,13)(H,12,14);3-4H,9-10H2,1-2H3
InChIKeyIORIXOYGFRXUMZ-UHFFFAOYSA-N
XLogP2.30
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione (CID 158761114) is 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cc(C)c(N)c(N)c1.Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is IORIXOYGFRXUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H12N2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8;1-5-3-6(2)8(10)7(9)4-5/h3-4H,1-2H3,(H,11,13)(H,12,14);3-4H,9-10H2,1-2H3.
What are the key properties of 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 326.40 g/mol, XLogP of 2.30, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylbenzene-1,2-diamine;5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 158761114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).