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

C19H14ClNO3 — CID 944930

IUPAC1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1
InChIInChI=1S/C19H14ClNO3/c1-11-9-17-18(15-10-14(23-2)7-8-16(15)24-17)19(21(11)22)12-3-5-13(20)6-4-12/h3-10H,1-2H3
InChIKeyCHUBMNMRGAUHOR-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.86
Rot. Bonds2

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

1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium (PubChem CID 944930) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
PubChem CID944930
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1
InChIInChI=1S/C19H14ClNO3/c1-11-9-17-18(15-10-14(23-2)7-8-16(15)24-17)19(21(11)22)12-3-5-13(20)6-4-12/h3-10H,1-2H3
InChIKeyCHUBMNMRGAUHOR-UHFFFAOYSA-N
XLogP4.86
TPSA49.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium (CID 944930) is 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium is COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
The InChIKey is CHUBMNMRGAUHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-11-9-17-18(15-10-14(23-2)7-8-16(15)24-17)19(21(11)22)12-3-5-13(20)6-4-12/h3-10H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium?
1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium has a molecular weight of 339.78 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-3-methyl-2-oxido-[1]benzofuro[3,2-c]pyridin-2-ium is sourced from PubChem (CID 944930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).