1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea

C25H24N4O — CID 71295974

IUPAC1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H24N4O/c1-25(2,3)29-24(30)26-19-14-15-20-21(16-19)28-23(18-12-8-5-9-13-18)22(27-20)17-10-6-4-7-11-17/h4-16H,1-3H3,(H2,26,29,30)
InChIKeyMZRAKCFEZXISDL-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.88
Rot. Bonds3

About 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea

1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea (PubChem CID 71295974) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
PubChem CID71295974
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C25H24N4O/c1-25(2,3)29-24(30)26-19-14-15-20-21(16-19)28-23(18-12-8-5-9-13-18)22(27-20)17-10-6-4-7-11-17/h4-16H,1-3H3,(H2,26,29,30)
InChIKeyMZRAKCFEZXISDL-UHFFFAOYSA-N
XLogP5.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]carbamic acid
CID 118453878
N-(2,3-diphenylquinoxalin-6-yl)ethanesulfonamide
CID 71295981
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
1-tert-butyl-3-phenanthro[9,10-b]quinoxalin-11-ylthiourea
CID 4637384
3-[4-(tert-butylcarbamoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 77069562
1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea
CID 76850570
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea?
The IUPAC name of 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea (CID 71295974) is 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea is CC(C)(C)NC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea?
The InChIKey is MZRAKCFEZXISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-25(2,3)29-24(30)26-19-14-15-20-21(16-19)28-23(18-12-8-5-9-13-18)22(27-20)17-10-6-4-7-11-17/h4-16H,1-3H3,(H2,26,29,30).
What are the key properties of 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea?
1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea has a molecular weight of 396.49 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea is sourced from PubChem (CID 71295974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).