1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea

C24H20Cl2N4O2 — CID 135908248

IUPAC1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2n1
InChIInChI=1S/C24H20Cl2N4O2/c25-18-11-17(12-19(26)23(18)31)16-8-9-20-21(13-16)29-22(14-28-20)30-24(32)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,31H,4,7,10H2,(H2,27,29,30,32)
InChIKeyGOOZBPXTFXNJHJ-UHFFFAOYSA-N
MW467.36 g/mol
LogP6.06
Rot. Bonds6

About 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea

1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea (PubChem CID 135908248) has the molecular formula C24H20Cl2N4O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
PubChem CID135908248
Molecular FormulaC24H20Cl2N4O2
Molecular Weight467.36 g/mol
Exact Mass466.10
IUPAC Name1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)Nc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2n1
InChIInChI=1S/C24H20Cl2N4O2/c25-18-11-17(12-19(26)23(18)31)16-8-9-20-21(13-16)29-22(14-28-20)30-24(32)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,31H,4,7,10H2,(H2,27,29,30,32)
InChIKeyGOOZBPXTFXNJHJ-UHFFFAOYSA-N
XLogP6.06
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea
CID 135908217
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
1-[3-(6-aminocyclohexa-1,5-dien-1-yl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 118328024
1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
CID 135908220
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
1-(4-phenylbutyl)-3-[3-(2,3,4-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66556954

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea (CID 135908248) is 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)Nc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2n1.
What is the InChIKey of 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea?
The InChIKey is GOOZBPXTFXNJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2/c25-18-11-17(12-19(26)23(18)31)16-8-9-20-21(13-16)29-22(14-28-20)30-24(32)27-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-14,31H,4,7,10H2,(H2,27,29,30,32).
What are the key properties of 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea?
1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea has a molecular weight of 467.36 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 135908248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).