8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile

C23H14N2O — CID 170251498

IUPAC8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile
SMILESCc1cc(-c2ccc3ccccc3n2)c2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C23H14N2O/c1-14-11-18-17-7-4-6-16(13-24)22(17)26-23(18)19(12-14)21-10-9-15-5-2-3-8-20(15)25-21/h2-12H,1H3
InChIKeyPQQBTHWIFQIXBP-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.98
Rot. Bonds1

About 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile

8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile (PubChem CID 170251498) has the molecular formula C23H14N2O and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile.

Molecular Properties

Compound Name8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile
PubChem CID170251498
Molecular FormulaC23H14N2O
Molecular Weight334.38 g/mol
Exact Mass334.11
IUPAC Name8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile
SMILESCc1cc(-c2ccc3ccccc3n2)c2oc3c(C#N)cccc3c2c1
InChIInChI=1S/C23H14N2O/c1-14-11-18-17-7-4-6-16(13-24)22(17)26-23(18)19(12-14)21-10-9-15-5-2-3-8-20(15)25-21/h2-12H,1H3
InChIKeyPQQBTHWIFQIXBP-UHFFFAOYSA-N
XLogP5.98
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile 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

8-methyl-6-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170251109
methane;6-quinolin-2-ylnaphthalene-1-carbonitrile
CID 174721917
2-(2,6-dimethyldibenzofuran-4-yl)pyridine
CID 156686870
2-(2,5-dimethylphenyl)quinoline
CID 1202732
2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
CID 129133236
2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278746
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
6-(N-iodo-4-methylanilino)dibenzofuran-4-carbonitrile
CID 137416012
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
CID 170251829
2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline
CID 118449025
2-(1-methylnaphthalen-2-yl)quinoline-3-carbonitrile
CID 58049919
2-[2,7-dimethyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]benzonitrile
CID 166043398

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile?
The IUPAC name of 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile (CID 170251498) is 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile.
What is the SMILES notation for 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile?
The canonical SMILES for 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile is Cc1cc(-c2ccc3ccccc3n2)c2oc3c(C#N)cccc3c2c1.
What is the InChIKey of 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile?
The InChIKey is PQQBTHWIFQIXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O/c1-14-11-18-17-7-4-6-16(13-24)22(17)26-23(18)19(12-14)21-10-9-15-5-2-3-8-20(15)25-21/h2-12H,1H3.
What are the key properties of 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile?
8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-quinolin-2-yldibenzofuran-4-carbonitrile is sourced from PubChem (CID 170251498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).