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

C22H13F3N4O — CID 118087429

IUPAC8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccncc4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H13F3N4O/c23-22(24,25)15-2-1-3-16(11-15)29-20-17-10-14(13-6-8-26-9-7-13)4-5-18(17)27-12-19(20)28-21(29)30/h1-12H,(H,28,30)
InChIKeyZNALUDBWRLTNLI-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.95
Rot. Bonds2

About 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118087429) has the molecular formula C22H13F3N4O and a molecular weight of 406.37 g/mol. Its IUPAC name is 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118087429
Molecular FormulaC22H13F3N4O
Molecular Weight406.37 g/mol
Exact Mass406.10
IUPAC Name8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(-c4ccncc4)cc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H13F3N4O/c23-22(24,25)15-2-1-3-16(11-15)29-20-17-10-14(13-6-8-26-9-7-13)4-5-18(17)27-12-19(20)28-21(29)30/h1-12H,(H,28,30)
InChIKeyZNALUDBWRLTNLI-UHFFFAOYSA-N
XLogP4.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118087429) is 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(-c4ccncc4)cc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZNALUDBWRLTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O/c23-22(24,25)15-2-1-3-16(11-15)29-20-17-10-14(13-6-8-26-9-7-13)4-5-18(17)27-12-19(20)28-21(29)30/h1-12H,(H,28,30).
What are the key properties of 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 406.37 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118087429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).