5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione

C16H8ClF3N4O2 — CID 164562878

IUPAC5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c2[nH]1
InChIInChI=1S/C16H8ClF3N4O2/c17-8-3-1-2-4-9(8)24-13-7(5-6-10(21-13)16(18,19)20)11-12(14(24)25)23-15(26)22-11/h1-6H,(H2,22,23,26)
InChIKeyGNSCUBXESWRNIT-UHFFFAOYSA-N
MW380.71 g/mol
LogP3.23
Rot. Bonds1

About 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione

5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione (PubChem CID 164562878) has the molecular formula C16H8ClF3N4O2 and a molecular weight of 380.71 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
PubChem CID164562878
Molecular FormulaC16H8ClF3N4O2
Molecular Weight380.71 g/mol
Exact Mass380.03
IUPAC Name5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione
SMILESO=c1[nH]c2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c2[nH]1
InChIInChI=1S/C16H8ClF3N4O2/c17-8-3-1-2-4-9(8)24-13-7(5-6-10(21-13)16(18,19)20)11-12(14(24)25)23-15(26)22-11/h1-6H,(H2,22,23,26)
InChIKeyGNSCUBXESWRNIT-UHFFFAOYSA-N
XLogP3.23
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.71
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione (CID 164562878) is 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione is O=c1[nH]c2c(=O)n(-c3ccccc3Cl)c3nc(C(F)(F)F)ccc3c2[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione?
The InChIKey is GNSCUBXESWRNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N4O2/c17-8-3-1-2-4-9(8)24-13-7(5-6-10(21-13)16(18,19)20)11-12(14(24)25)23-15(26)22-11/h1-6H,(H2,22,23,26).
What are the key properties of 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione?
5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione has a molecular weight of 380.71 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-2,4-dione is sourced from PubChem (CID 164562878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).