1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea

C25H22N4O3 — CID 135908220

IUPAC1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)c1
InChIInChI=1S/C25H22N4O3/c1-14-9-19(10-15(2)24(14)31)18-7-8-21-22(12-18)28-23(13-26-21)29-25(32)27-20-6-4-5-17(11-20)16(3)30/h4-13,31H,1-3H3,(H2,27,28,29,32)
InChIKeyXVCXEVMSMWLQQC-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.47
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea

1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea (PubChem CID 135908220) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
PubChem CID135908220
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)c1
InChIInChI=1S/C25H22N4O3/c1-14-9-19(10-15(2)24(14)31)18-7-8-21-22(12-18)28-23(13-26-21)29-25(32)27-20-6-4-5-17(11-20)16(3)30/h4-13,31H,1-3H3,(H2,27,28,29,32)
InChIKeyXVCXEVMSMWLQQC-UHFFFAOYSA-N
XLogP5.47
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
CID 135908219
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
1-(3-acetylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 63818723
1-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-(3-acetylphenyl)-3-(1,2,4-triazin-3-yl)urea
CID 114389178
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321334
1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
CID 60609638
1-(3-acetylphenyl)-3-(4-chloro-2-methylphenyl)urea
CID 61346467
N-(3-acetylphenyl)-3-methylquinoxaline-2-carboxamide
CID 110861072
N-(3-acetylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290158

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea (CID 135908220) is 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea is CC(=O)c1cccc(NC(=O)Nc2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The InChIKey is XVCXEVMSMWLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-14-9-19(10-15(2)24(14)31)18-7-8-21-22(12-18)28-23(13-26-21)29-25(32)27-20-6-4-5-17(11-20)16(3)30/h4-13,31H,1-3H3,(H2,27,28,29,32).
What are the key properties of 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea has a molecular weight of 426.48 g/mol, XLogP of 5.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea is sourced from PubChem (CID 135908220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).