1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea

C25H24N4O2 — CID 46259435

IUPAC1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-16-9-10-17(2)21(13-16)28-25(31)27-20-11-12-23-22(14-20)26-18(3)24(30)29(23)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H2,27,28,31)
InChIKeySDBGVUDTJSKXCH-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.01
Rot. Bonds4

About 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea

1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea (PubChem CID 46259435) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea
PubChem CID46259435
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1
InChIInChI=1S/C25H24N4O2/c1-16-9-10-17(2)21(13-16)28-25(31)27-20-11-12-23-22(14-20)26-18(3)24(30)29(23)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H2,27,28,31)
InChIKeySDBGVUDTJSKXCH-UHFFFAOYSA-N
XLogP5.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
CID 46389876
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
1-benzyl-N-[2-(4-chlorophenyl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53005123
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
1-benzyl-N-(3-ethoxypropyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058345
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
1-benzyl-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxoquinoxaline-6-carboxamide
CID 53058393
1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea (CID 46259435) is 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)nc(C)c(=O)n3Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea?
The InChIKey is SDBGVUDTJSKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-9-10-17(2)21(13-16)28-25(31)27-20-11-12-23-22(14-20)26-18(3)24(30)29(23)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H2,27,28,31).
What are the key properties of 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea?
1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea has a molecular weight of 412.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3-methyl-2-oxoquinoxalin-6-yl)-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 46259435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).