1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea

C18H22N6O — CID 97284208

IUPAC1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
SMILESCC[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H22N6O/c1-4-14(10-24-8-7-19-11-24)22-18(25)23-15-5-6-16-17(9-15)21-13(3)12(2)20-16/h5-9,11,14H,4,10H2,1-3H3,(H2,22,23,25)/t14-/m0/s1
InChIKeyCWGKLBWFDUGMCK-AWEZNQCLSA-N
MW338.42 g/mol
LogP3.04
Rot. Bonds5

About 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea

1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea (PubChem CID 97284208) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
PubChem CID97284208
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
SMILESCC[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C18H22N6O/c1-4-14(10-24-8-7-19-11-24)22-18(25)23-15-5-6-16-17(9-15)21-13(3)12(2)20-16/h5-9,11,14H,4,10H2,1-3H3,(H2,22,23,25)/t14-/m0/s1
InChIKeyCWGKLBWFDUGMCK-AWEZNQCLSA-N
XLogP3.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea with MolForge

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Related Compounds

N-[3-(1-imidazol-1-ylbutan-2-ylcarbamoylamino)phenyl]-2-methoxyacetamide
CID 72895830
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
1-[3-(dimethylsulfamoylamino)phenyl]-3-[(2R)-1-imidazol-1-ylbutan-2-yl]urea
CID 97455536
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
1-(1-imidazol-1-ylbutan-2-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;2,2,2-trifluoroacetic acid
CID 154887743
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
CID 96573373
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
1-[(2R)-1-imidazol-1-ylbutan-2-yl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 39782327
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-1-imidazol-1-ylbutan-2-yl]acetamide
CID 99984955
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea (CID 97284208) is 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea is CC[C@@H](Cn1ccnc1)NC(=O)Nc1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea?
The InChIKey is CWGKLBWFDUGMCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O/c1-4-14(10-24-8-7-19-11-24)22-18(25)23-15-5-6-16-17(9-15)21-13(3)12(2)20-16/h5-9,11,14H,4,10H2,1-3H3,(H2,22,23,25)/t14-/m0/s1.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea?
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea has a molecular weight of 338.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea is sourced from PubChem (CID 97284208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).