1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea

C22H18N4O2 — CID 1485415

IUPAC1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-18-11-9-16(10-12-18)24-22(27)25-17-6-4-5-15(13-17)21-14-23-19-7-2-3-8-20(19)26-21/h2-14H,1H3,(H2,24,25,27)
InChIKeyHNYMIBDUKIOVBK-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.95
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea

1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea (PubChem CID 1485415) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
PubChem CID1485415
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-18-11-9-16(10-12-18)24-22(27)25-17-6-4-5-15(13-17)21-14-23-19-7-2-3-8-20(19)26-21/h2-14H,1H3,(H2,24,25,27)
InChIKeyHNYMIBDUKIOVBK-UHFFFAOYSA-N
XLogP4.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-quinoxalin-2-ylphenyl)carbamoyl chloride
CID 73427550
(2R)-N-(3-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086643
(2R)-N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086645
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea
CID 122183074
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
N-(3-chloro-4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112208
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea (CID 1485415) is 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea?
The InChIKey is HNYMIBDUKIOVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-18-11-9-16(10-12-18)24-22(27)25-17-6-4-5-15(13-17)21-14-23-19-7-2-3-8-20(19)26-21/h2-14H,1H3,(H2,24,25,27).
What are the key properties of 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea?
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea has a molecular weight of 370.41 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea is sourced from PubChem (CID 1485415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).