1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C17H10F3N3O — CID 66900566

IUPAC1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccccc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)10-4-3-5-11(8-10)23-15-12-6-1-2-7-13(12)21-9-14(15)22-16(23)24/h1-9H,(H,22,24)
InChIKeyCWAUHMNHHXTZRO-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.89
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 66900566) has the molecular formula C17H10F3N3O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID66900566
Molecular FormulaC17H10F3N3O
Molecular Weight329.28 g/mol
Exact Mass329.08
IUPAC Name1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccccc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H10F3N3O/c18-17(19,20)10-4-3-5-11(8-10)23-15-12-6-1-2-7-13(12)21-9-14(15)22-16(23)24/h1-9H,(H,22,24)
InChIKeyCWAUHMNHHXTZRO-UHFFFAOYSA-N
XLogP3.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 66900566) is 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccccc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is CWAUHMNHHXTZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O/c18-17(19,20)10-4-3-5-11(8-10)23-15-12-6-1-2-7-13(12)21-9-14(15)22-16(23)24/h1-9H,(H,22,24).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 329.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 66900566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).