2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline

C17H10F3N3 — CID 127044079

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline
SMILESFC(F)(F)c1ccc(-c2nc3cc4ncccc4cc3[nH]2)cc1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)12-5-3-10(4-6-12)16-22-14-8-11-2-1-7-21-13(11)9-15(14)23-16/h1-9H,(H,22,23)
InChIKeyIWGQVGXPJSAYRB-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.80
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline

2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline (PubChem CID 127044079) has the molecular formula C17H10F3N3 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline
PubChem CID127044079
Molecular FormulaC17H10F3N3
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline
SMILESFC(F)(F)c1ccc(-c2nc3cc4ncccc4cc3[nH]2)cc1
InChIInChI=1S/C17H10F3N3/c18-17(19,20)12-5-3-10(4-6-12)16-22-14-8-11-2-1-7-21-13(11)9-15(14)23-16/h1-9H,(H,22,23)
InChIKeyIWGQVGXPJSAYRB-UHFFFAOYSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline (CID 127044079) is 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline is FC(F)(F)c1ccc(-c2nc3cc4ncccc4cc3[nH]2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline?
The InChIKey is IWGQVGXPJSAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3/c18-17(19,20)12-5-3-10(4-6-12)16-22-14-8-11-2-1-7-21-13(11)9-15(14)23-16/h1-9H,(H,22,23).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline?
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline has a molecular weight of 313.28 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline is sourced from PubChem (CID 127044079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).