6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one

C21H11FN2O — CID 127034036

IUPAC6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1cccc(F)c1)nc1cccnc21
InChIInChI=1S/C21H11FN2O/c22-13-6-3-5-12(11-13)19-18-17(20-16(24-19)9-4-10-23-20)14-7-1-2-8-15(14)21(18)25/h1-11H
InChIKeyWYBMMVXQMWUHSI-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.65
Rot. Bonds1

About 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one

6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one (PubChem CID 127034036) has the molecular formula C21H11FN2O and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one
PubChem CID127034036
Molecular FormulaC21H11FN2O
Molecular Weight326.33 g/mol
Exact Mass326.09
IUPAC Name6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1cccc(F)c1)nc1cccnc21
InChIInChI=1S/C21H11FN2O/c22-13-6-3-5-12(11-13)19-18-17(20-16(24-19)9-4-10-23-20)14-7-1-2-8-15(14)21(18)25/h1-11H
InChIKeyWYBMMVXQMWUHSI-UHFFFAOYSA-N
XLogP4.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one?
The IUPAC name of 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one (CID 127034036) is 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one.
What is the SMILES notation for 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one?
The canonical SMILES for 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one is O=C1c2ccccc2-c2c1c(-c1cccc(F)c1)nc1cccnc21.
What is the InChIKey of 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one?
The InChIKey is WYBMMVXQMWUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN2O/c22-13-6-3-5-12(11-13)19-18-17(20-16(24-19)9-4-10-23-20)14-7-1-2-8-15(14)21(18)25/h1-11H.
What are the key properties of 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one?
6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one has a molecular weight of 326.33 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one is sourced from PubChem (CID 127034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).