6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

C23H19NO2 — CID 59572702

IUPAC6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCOc1cc(C)ccc1N1c2ccccc2Cc2c1oc1ccccc21
InChIInChI=1S/C23H19NO2/c1-15-11-12-20(22(13-15)25-2)24-19-9-5-3-7-16(19)14-18-17-8-4-6-10-21(17)26-23(18)24/h3-13H,14H2,1-2H3
InChIKeyNAUPEGBBXPMGTI-UHFFFAOYSA-N
MW341.41 g/mol
LogP6.12
Rot. Bonds2

About 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (PubChem CID 59572702) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
PubChem CID59572702
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
SMILESCOc1cc(C)ccc1N1c2ccccc2Cc2c1oc1ccccc21
InChIInChI=1S/C23H19NO2/c1-15-11-12-20(22(13-15)25-2)24-19-9-5-3-7-16(19)14-18-17-8-4-6-10-21(17)26-23(18)24/h3-13H,14H2,1-2H3
InChIKeyNAUPEGBBXPMGTI-UHFFFAOYSA-N
XLogP6.12
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (CID 59572702) is 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is COc1cc(C)ccc1N1c2ccccc2Cc2c1oc1ccccc21.
What is the InChIKey of 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
The InChIKey is NAUPEGBBXPMGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-11-12-20(22(13-15)25-2)24-19-9-5-3-7-16(19)14-18-17-8-4-6-10-21(17)26-23(18)24/h3-13H,14H2,1-2H3.
What are the key properties of 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?
6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline has a molecular weight of 341.41 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-methylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 59572702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).