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

C20H22N4O2 — CID 135908217

IUPAC1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1cnc2ccc(-c3cc(C)c(O)c(C)c3)cc2n1
InChIInChI=1S/C20H22N4O2/c1-4-7-21-20(26)24-18-11-22-16-6-5-14(10-17(16)23-18)15-8-12(2)19(25)13(3)9-15/h5-6,8-11,25H,4,7H2,1-3H3,(H2,21,23,24,26)
InChIKeyCPLAEELJDGYJTE-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.15
Rot. Bonds4

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

1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea (PubChem CID 135908217) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea.

Molecular Properties

Compound Name1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea
PubChem CID135908217
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea
SMILESCCCNC(=O)Nc1cnc2ccc(-c3cc(C)c(O)c(C)c3)cc2n1
InChIInChI=1S/C20H22N4O2/c1-4-7-21-20(26)24-18-11-22-16-6-5-14(10-17(16)23-18)15-8-12(2)19(25)13(3)9-15/h5-6,8-11,25H,4,7H2,1-3H3,(H2,21,23,24,26)
InChIKeyCPLAEELJDGYJTE-UHFFFAOYSA-N
XLogP4.15
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea 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-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
CID 135908220
1-(3-chloro-2-methylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
CID 135908219
1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
CID 135908248
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
7-(6-fluoro-5-methyl-3-pyridinyl)-N-methylquinoxalin-2-amine
CID 169091246
4-[3-[4-[4-(aminomethyl)phenyl]piperazin-1-yl]quinoxalin-6-yl]-2,6-dimethylphenol
CID 174653874
1-ethyl-3-[3-(3-methoxy-4-methylanilino)pyrido[2,3-b]pyrazin-6-yl]urea
CID 58881846
1-ethyl-3-(8-methyl-6-naphthalen-2-ylisoquinolin-3-yl)urea
CID 67449892
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
1-[3-(3,5-dimethylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 58881935

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea?
The IUPAC name of 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea (CID 135908217) is 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea.
What is the SMILES notation for 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea?
The canonical SMILES for 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea is CCCNC(=O)Nc1cnc2ccc(-c3cc(C)c(O)c(C)c3)cc2n1.
What is the InChIKey of 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea?
The InChIKey is CPLAEELJDGYJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-7-21-20(26)24-18-11-22-16-6-5-14(10-17(16)23-18)15-8-12(2)19(25)13(3)9-15/h5-6,8-11,25H,4,7H2,1-3H3,(H2,21,23,24,26).
What are the key properties of 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea?
1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea has a molecular weight of 350.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]-3-propylurea is sourced from PubChem (CID 135908217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).