6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one

C22H11F3N2O — CID 127034035

IUPAC6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1ccc(C(F)(F)F)cc1)nc1cccnc21
InChIInChI=1S/C22H11F3N2O/c23-22(24,25)13-9-7-12(8-10-13)19-18-17(20-16(27-19)6-3-11-26-20)14-4-1-2-5-15(14)21(18)28/h1-11H
InChIKeyDZJCAMCMXHURSR-UHFFFAOYSA-N
MW376.34 g/mol
LogP5.53
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one

6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one (PubChem CID 127034035) has the molecular formula C22H11F3N2O and a molecular weight of 376.34 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one
PubChem CID127034035
Molecular FormulaC22H11F3N2O
Molecular Weight376.34 g/mol
Exact Mass376.08
IUPAC Name6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one
SMILESO=C1c2ccccc2-c2c1c(-c1ccc(C(F)(F)F)cc1)nc1cccnc21
InChIInChI=1S/C22H11F3N2O/c23-22(24,25)13-9-7-12(8-10-13)19-18-17(20-16(27-19)6-3-11-26-20)14-4-1-2-5-15(14)21(18)28/h1-11H
InChIKeyDZJCAMCMXHURSR-UHFFFAOYSA-N
XLogP5.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one (CID 127034035) is 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one is O=C1c2ccccc2-c2c1c(-c1ccc(C(F)(F)F)cc1)nc1cccnc21.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one?
The InChIKey is DZJCAMCMXHURSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F3N2O/c23-22(24,25)13-9-7-12(8-10-13)19-18-17(20-16(27-19)6-3-11-26-20)14-4-1-2-5-15(14)21(18)28/h1-11H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one?
6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one has a molecular weight of 376.34 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one is sourced from PubChem (CID 127034035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).