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

C24H21ClN4O2 — CID 135908219

IUPAC1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
SMILESCc1cc(-c2ccc3ncc(NC(=O)Nc4cccc(Cl)c4C)nc3c2)cc(C)c1O
InChIInChI=1S/C24H21ClN4O2/c1-13-9-17(10-14(2)23(13)30)16-7-8-20-21(11-16)27-22(12-26-20)29-24(31)28-19-6-4-5-18(25)15(19)3/h4-12,30H,1-3H3,(H2,27,28,29,31)
InChIKeyYKWJAMOSSZABBP-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.23
Rot. Bonds3

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

1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea (PubChem CID 135908219) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
PubChem CID135908219
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
SMILESCc1cc(-c2ccc3ncc(NC(=O)Nc4cccc(Cl)c4C)nc3c2)cc(C)c1O
InChIInChI=1S/C24H21ClN4O2/c1-13-9-17(10-14(2)23(13)30)16-7-8-20-21(11-16)27-22(12-26-20)29-24(31)28-19-6-4-5-18(25)15(19)3/h4-12,30H,1-3H3,(H2,27,28,29,31)
InChIKeyYKWJAMOSSZABBP-UHFFFAOYSA-N
XLogP6.23
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-methylphenyl)-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-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea
CID 135908217
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-2-methylphenyl)-3-(5-chloro-2-methylphenyl)urea
CID 108991775
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3-chloro-2-methylphenyl)urea
CID 108991794
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23860175
1-(5-amino-4-methyl-2-pyridinyl)-3-(2-chlorophenyl)urea
CID 61292988
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea (CID 135908219) is 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea is Cc1cc(-c2ccc3ncc(NC(=O)Nc4cccc(Cl)c4C)nc3c2)cc(C)c1O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
The InChIKey is YKWJAMOSSZABBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-13-9-17(10-14(2)23(13)30)16-7-8-20-21(11-16)27-22(12-26-20)29-24(31)28-19-6-4-5-18(25)15(19)3/h4-12,30H,1-3H3,(H2,27,28,29,31).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea?
1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea has a molecular weight of 432.91 g/mol, XLogP of 6.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea is sourced from PubChem (CID 135908219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).