1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea

C18H18N4O5 — CID 135858111

IUPAC1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-11-17(20-18(23)19-12-4-6-13(26-2)7-5-12)22(25)16-10-14(27-3)8-9-15(16)21(11)24/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyFUGCJOACXQHMQO-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.08
Rot. Bonds4

About 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea

1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea (PubChem CID 135858111) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea
PubChem CID135858111
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1
InChIInChI=1S/C18H18N4O5/c1-11-17(20-18(23)19-12-4-6-13(26-2)7-5-12)22(25)16-10-14(27-3)8-9-15(16)21(11)24/h4-10H,1-3H3,(H2,19,20,23)
InChIKeyFUGCJOACXQHMQO-UHFFFAOYSA-N
XLogP2.08
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea with MolForge

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Related Compounds

Phenazine, 2-methoxy-, 10-oxide
CID 137753
1-(2,3-Dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea
CID 1072886
(6,7-Dimethoxy-quinoxalin-2-yl)-phenyl-amine
CID 9903852
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methoxyphenyl)piperazine
CID 11625718
3-[2-(Diethylamino)ethylamino]-7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile
CID 135513732
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 820005
N-(4-methoxyphenyl)-3-methyl-2-quinoxalinamine
CID 869658
(7-Methoxy-quinoxalin-2-yl)-phenyl-amine
CID 44335539
N-[4-[[3-(3-methoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1317866
2-Anilino-6-methoxy-quinoxaline
CID 10198882
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
CID 86055675

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea (CID 135858111) is 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1.
What is the InChIKey of 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is FUGCJOACXQHMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-11-17(20-18(23)19-12-4-6-13(26-2)7-5-12)22(25)16-10-14(27-3)8-9-15(16)21(11)24/h4-10H,1-3H3,(H2,19,20,23).
What are the key properties of 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea?
1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 370.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 135858111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).