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

C22H15F3N6O — CID 118087457

IUPAC8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C22H15F3N6O/c1-30-18-11-27-17-6-5-12(13-9-28-20(26)29-10-13)7-16(17)19(18)31(21(30)32)15-4-2-3-14(8-15)22(23,24)25/h2-11H,1H3,(H2,26,28,29)
InChIKeyGOCGQGAPYJAGKU-UHFFFAOYSA-N
MW436.40 g/mol
LogP3.94
Rot. Bonds2

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

8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118087457) has the molecular formula C22H15F3N6O and a molecular weight of 436.40 g/mol. Its IUPAC name is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118087457
Molecular FormulaC22H15F3N6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC Name8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21
InChIInChI=1S/C22H15F3N6O/c1-30-18-11-27-17-6-5-12(13-9-28-20(26)29-10-13)7-16(17)19(18)31(21(30)32)15-4-2-3-14(8-15)22(23,24)25/h2-11H,1H3,(H2,26,28,29)
InChIKeyGOCGQGAPYJAGKU-UHFFFAOYSA-N
XLogP3.94
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 118087457) is 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21.
What is the InChIKey of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is GOCGQGAPYJAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O/c1-30-18-11-27-17-6-5-12(13-9-28-20(26)29-10-13)7-16(17)19(18)31(21(30)32)15-4-2-3-14(8-15)22(23,24)25/h2-11H,1H3,(H2,26,28,29).
What are the key properties of 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 436.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118087457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).