6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine

C15H13N3O3 — CID 135503389

IUPAC6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine
SMILESCOc1ccc2c(c1)[n+]([O-])c(-c1ccccc1)c(N)[n+]2[O-]
InChIInChI=1S/C15H13N3O3/c1-21-11-7-8-12-13(9-11)17(19)14(15(16)18(12)20)10-5-3-2-4-6-10/h2-9H,16H2,1H3
InChIKeyBITBQVZIBRVJLD-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.36
Rot. Bonds2

About 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine

6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine (PubChem CID 135503389) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine.

Molecular Properties

Compound Name6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine
PubChem CID135503389
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine
SMILESCOc1ccc2c(c1)[n+]([O-])c(-c1ccccc1)c(N)[n+]2[O-]
InChIInChI=1S/C15H13N3O3/c1-21-11-7-8-12-13(9-11)17(19)14(15(16)18(12)20)10-5-3-2-4-6-10/h2-9H,16H2,1H3
InChIKeyBITBQVZIBRVJLD-UHFFFAOYSA-N
XLogP1.36
TPSA89.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Phenazine, 2-methoxy-, 10-oxide
CID 137753
N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107
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
2-[(4-Methoxy-phenyl)amino]-3-phenyl-5,7-dinitroquinoxaline
CID 24796666
2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-dinitro-quinoxaline
CID 24796667
6-Methoxy-2,3-diphenylquinoxaline
CID 628534
N-benzyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055668
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
CID 86055675
N-butyl-7-methoxy-3-phenylquinoxalin-2-amine
CID 118726543

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine?
The IUPAC name of 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine (CID 135503389) is 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine.
What is the SMILES notation for 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine?
The canonical SMILES for 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine is COc1ccc2c(c1)[n+]([O-])c(-c1ccccc1)c(N)[n+]2[O-].
What is the InChIKey of 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine?
The InChIKey is BITBQVZIBRVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-11-7-8-12-13(9-11)17(19)14(15(16)18(12)20)10-5-3-2-4-6-10/h2-9H,16H2,1H3.
What are the key properties of 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine?
6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine has a molecular weight of 283.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine is sourced from PubChem (CID 135503389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).