5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium

C16H12NO+ — CID 11792911

IUPAC5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium
SMILESC[n+]1c2ccccc2cc2oc3ccccc3c21
InChIInChI=1S/C16H12NO/c1-17-13-8-4-2-6-11(13)10-15-16(17)12-7-3-5-9-14(12)18-15/h2-10H,1H3/q+1
InChIKeyMUQYTTBCCROMTI-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.56
Rot. Bonds

About 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium

5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium (PubChem CID 11792911) has the molecular formula C16H12NO+ and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium.

Molecular Properties

Compound Name5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium
PubChem CID11792911
Molecular FormulaC16H12NO+
Molecular Weight234.28 g/mol
Exact Mass234.09
IUPAC Name5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium
SMILESC[n+]1c2ccccc2cc2oc3ccccc3c21
InChIInChI=1S/C16H12NO/c1-17-13-8-4-2-6-11(13)10-15-16(17)12-7-3-5-9-14(12)18-15/h2-10H,1H3/q+1
InChIKeyMUQYTTBCCROMTI-UHFFFAOYSA-N
XLogP3.56
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium?
The IUPAC name of 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium (CID 11792911) is 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium.
What is the SMILES notation for 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium?
The canonical SMILES for 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium is C[n+]1c2ccccc2cc2oc3ccccc3c21.
What is the InChIKey of 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium?
The InChIKey is MUQYTTBCCROMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12NO/c1-17-13-8-4-2-6-11(13)10-15-16(17)12-7-3-5-9-14(12)18-15/h2-10H,1H3/q+1.
What are the key properties of 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium?
5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium has a molecular weight of 234.28 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium is sourced from PubChem (CID 11792911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).