6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium

C16H11NO2 — CID 12502024

IUPAC6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
SMILESCc1c2c3ccccc3oc2c2ccccc2[n+]1[O-]
InChIInChI=1S/C16H11NO2/c1-10-15-12-7-3-5-9-14(12)19-16(15)11-6-2-4-8-13(11)17(10)18/h2-9H,1H3
InChIKeyUJPUHEGCHGLEIH-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.68
Rot. Bonds

About 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium

6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium (PubChem CID 12502024) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium.

Molecular Properties

Compound Name6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
PubChem CID12502024
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium
SMILESCc1c2c3ccccc3oc2c2ccccc2[n+]1[O-]
InChIInChI=1S/C16H11NO2/c1-10-15-12-7-3-5-9-14(12)19-16(15)11-6-2-4-8-13(11)17(10)18/h2-9H,1H3
InChIKeyUJPUHEGCHGLEIH-UHFFFAOYSA-N
XLogP3.68
TPSA40.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium with MolForge

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

Launch Full Analysis

Related Compounds

11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 123841957
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
5-methyl-6-(2-methyl-4-propan-2-ylnaphthalen-1-yl)-[1]benzofuro[3,2-c]quinolin-5-ium
CID 167354763
4,15,27,38-tetraoxatridecacyclo[23.21.1.12,13.03,11.05,10.014,22.016,21.026,34.028,33.036,47.037,45.039,44.024,48]octatetraconta-1(47),2,5,7,9,11,13,16,18,20,22,24(48),25,28,30,32,34,36,39,41,43,45-docosaene
CID 90365819
3-methyldibenzofuran-1,4-diamine
CID 68822096
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
1,4-dimethyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)quinolin-1-ium
CID 146947606
2,3-dimethyl-[1]benzofuro[3,2-c]chromen-6-one
CID 102369758
1,3-di(propan-2-yl)dibenzofuran-4-amine
CID 58400957
1-methylfuro[2,3-b][1]benzofuran-2-amine
CID 130322179
2,4-di(propan-2-yl)dibenzofuran-1-amine;ethane
CID 144650095

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium?
The IUPAC name of 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium (CID 12502024) is 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium.
What is the SMILES notation for 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium?
The canonical SMILES for 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium is Cc1c2c3ccccc3oc2c2ccccc2[n+]1[O-].
What is the InChIKey of 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium?
The InChIKey is UJPUHEGCHGLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-10-15-12-7-3-5-9-14(12)19-16(15)11-6-2-4-8-13(11)17(10)18/h2-9H,1H3.
What are the key properties of 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium?
6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium has a molecular weight of 249.27 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-oxido-[1]benzofuro[3,2-c]quinolin-5-ium is sourced from PubChem (CID 12502024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).