3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea

C15H20N4O — CID 108885600

IUPAC3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C15H20N4O/c1-5-19(6-2)15(20)18-12-7-8-13-14(9-12)17-11(4)10(3)16-13/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyULAZERXFEAJWOW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.12
Rot. Bonds3

About 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea

3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea (PubChem CID 108885600) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
PubChem CID108885600
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C15H20N4O/c1-5-19(6-2)15(20)18-12-7-8-13-14(9-12)17-11(4)10(3)16-13/h7-9H,5-6H2,1-4H3,(H,18,20)
InChIKeyULAZERXFEAJWOW-UHFFFAOYSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethylquinoxalin-6-amine
CID 146053
Phenazinium, 2-amino-8-(dimethylamino)-10-phenyl-, chloride (1:1)
CID 75442
N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
CID 10198248
N-(2-Phenazinyl)acetamide
CID 607082
1,3-Diamino-5-methylphenazinium chloride
CID 14132
N-(3-Acetylamino-phenazin-2-YL)-acetamide
CID 2829712
1-(Tert-Butyl)-3-(Quinoxalin-6-Yl)urea
CID 1350527
Ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamoyl]piperazine-1-carboxylate
CID 1072891
N-(2,3-dimethyl-6-quinoxalinyl)-1-pyrrolidinecarbothioamide
CID 797642
1,1-Di(propan-2-yl)-3-quinoxalin-6-ylurea
CID 798077
1-Cyclohexyl-3-(2,3-dimethylquinoxalin-6-yl)thiourea
CID 798121
2,3-Diethyl-6-(4-methyl-1-piperazinyl)quinoxaline
CID 1491637

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea?
The IUPAC name of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea (CID 108885600) is 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea?
The canonical SMILES for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea?
The InChIKey is ULAZERXFEAJWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-19(6-2)15(20)18-12-7-8-13-14(9-12)17-11(4)10(3)16-13/h7-9H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea?
3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea has a molecular weight of 272.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylquinoxalin-6-yl)-1,1-diethylurea is sourced from PubChem (CID 108885600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).