8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium

C20H17NO4 — CID 940897

IUPAC8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1
InChIInChI=1S/C20H17NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3
InChIKeyDIPRAFIKGBYDDD-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.21
Rot. Bonds3

About 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium

8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium (PubChem CID 940897) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium.

Molecular Properties

Compound Name8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
PubChem CID940897
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1
InChIInChI=1S/C20H17NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3
InChIKeyDIPRAFIKGBYDDD-UHFFFAOYSA-N
XLogP4.21
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
CID 944930
Mat2A-IN-12
CID 945337
1-(4-Bromophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
CID 2014347
6-Fluoro-5-(5-methoxy-1-benzofuran-2-yl)pyridine-2-carboxamide
CID 70686266
8-Methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium
CID 947741
5,5-Dimethyl-6,11-dioxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,8,12(17),13,15-heptaene
CID 16747761
Furo(3,2-c)quinoline, 4-methyl-2-(1-(1-methylethoxy)ethyl)-
CID 13157280
Furo(3,2-c)quinoline, 2-(1-butoxyethyl)-4-methyl-
CID 13157282
Furo(3,2-c)quinoline, 8-methoxy-2-(1-methoxyethyl)-4-methyl-
CID 13157293
Furo(3,2-c)quinoline, 8-methoxy-4-methyl-2-(1-(1-methylethoxy)ethyl)-
CID 13157294
Furo(3,2-c)quinoline, 8-methoxy-4-methyl-2-(1-(2-methylpropoxy)ethyl)-
CID 13157295
Furo(3,2-c)quinoline, 8-methoxy-4-methyl-2-(1-(pentyloxy)ethyl)-
CID 13157296

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The IUPAC name of 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium (CID 940897) is 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium.
What is the SMILES notation for 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The canonical SMILES for 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium is COc1ccc(-c2c3c(cc(C)[n+]2[O-])oc2ccc(OC)cc23)cc1.
What is the InChIKey of 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The InChIKey is DIPRAFIKGBYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-10-18-19(16-11-15(24-3)8-9-17(16)25-18)20(21(12)22)13-4-6-14(23-2)7-5-13/h4-11H,1-3H3.
What are the key properties of 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium has a molecular weight of 335.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium is sourced from PubChem (CID 940897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).