8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium

C19H15NO3 — CID 947741

IUPAC8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc2oc3cc(C)[n+]([O-])c(-c4ccccc4)c3c2c1
InChIInChI=1S/C19H15NO3/c1-12-10-17-18(15-11-14(22-2)8-9-16(15)23-17)19(20(12)21)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUSUOZYKNSMNFNT-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.20
Rot. Bonds2

About 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium

8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium (PubChem CID 947741) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium.

Molecular Properties

Compound Name8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium
PubChem CID947741
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium
SMILESCOc1ccc2oc3cc(C)[n+]([O-])c(-c4ccccc4)c3c2c1
InChIInChI=1S/C19H15NO3/c1-12-10-17-18(15-11-14(22-2)8-9-16(15)23-17)19(20(12)21)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyUSUOZYKNSMNFNT-UHFFFAOYSA-N
XLogP4.20
TPSA49.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.20
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium?
The IUPAC name of 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium (CID 947741) is 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium.
What is the SMILES notation for 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium?
The canonical SMILES for 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium is COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccccc4)c3c2c1.
What is the InChIKey of 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium?
The InChIKey is USUOZYKNSMNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-10-17-18(15-11-14(22-2)8-9-16(15)23-17)19(20(12)21)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium?
8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium has a molecular weight of 305.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-2-oxido-1-phenyl-[1]benzofuro[3,2-c]pyridin-2-ium is sourced from PubChem (CID 947741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).