5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

C16H8ClF3N4O — CID 167150763

IUPAC5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2[nH]cnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H8ClF3N4O/c17-9-3-1-2-4-10(9)24-14-8(5-6-11(23-14)16(18,19)20)12-13(15(24)25)22-7-21-12/h1-7H,(H,21,22)
InChIKeyJCZHWEQPDQIYLU-UHFFFAOYSA-N
MW364.71 g/mol
LogP3.93
Rot. Bonds1

About 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 167150763) has the molecular formula C16H8ClF3N4O and a molecular weight of 364.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID167150763
Molecular FormulaC16H8ClF3N4O
Molecular Weight364.71 g/mol
Exact Mass364.03
IUPAC Name5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2[nH]cnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H8ClF3N4O/c17-9-3-1-2-4-10(9)24-14-8(5-6-11(23-14)16(18,19)20)12-13(15(24)25)22-7-21-12/h1-7H,(H,21,22)
InChIKeyJCZHWEQPDQIYLU-UHFFFAOYSA-N
XLogP3.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (CID 167150763) is 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is O=c1c2[nH]cnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is JCZHWEQPDQIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N4O/c17-9-3-1-2-4-10(9)24-14-8(5-6-11(23-14)16(18,19)20)12-13(15(24)25)22-7-21-12/h1-7H,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 364.71 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 167150763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).