1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea

C18H18N4O2 — CID 1072886

IUPAC1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1
InChIInChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)
InChIKeySUIPENOZJSBAFI-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea

1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea (PubChem CID 1072886) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
PubChem CID1072886
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1
InChIInChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)
InChIKeySUIPENOZJSBAFI-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea (CID 1072886) is 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)c1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea?
The InChIKey is SUIPENOZJSBAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea?
1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 1072886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).