1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone

C23H16N2O2 — CID 45112229

IUPAC1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C23H16N2O2/c1-14(26)15-10-12-16(13-11-15)24-22-17-6-2-4-8-19(17)25-23-21(22)18-7-3-5-9-20(18)27-23/h2-13H,1H3,(H,24,25)
InChIKeyFRLSEASONDEFOD-UHFFFAOYSA-N
MW352.39 g/mol
LogP6.08
Rot. Bonds3

About 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone

1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone (PubChem CID 45112229) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone
PubChem CID45112229
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C23H16N2O2/c1-14(26)15-10-12-16(13-11-15)24-22-17-6-2-4-8-19(17)25-23-21(22)18-7-3-5-9-20(18)27-23/h2-13H,1H3,(H,24,25)
InChIKeyFRLSEASONDEFOD-UHFFFAOYSA-N
XLogP6.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone (CID 45112229) is 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone is CC(=O)c1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1.
What is the InChIKey of 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone?
The InChIKey is FRLSEASONDEFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c1-14(26)15-10-12-16(13-11-15)24-22-17-6-2-4-8-19(17)25-23-21(22)18-7-3-5-9-20(18)27-23/h2-13H,1H3,(H,24,25).
What are the key properties of 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone?
1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone has a molecular weight of 352.39 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-([1]benzofuro[2,3-b]quinolin-11-ylamino)phenyl]ethanone is sourced from PubChem (CID 45112229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).