8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C22H13F3N4O2 — CID 127047837

IUPAC8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c[nH]1
InChIInChI=1S/C22H13F3N4O2/c23-22(24,25)14-2-1-3-15(9-14)29-20-16-8-12(13-5-7-19(30)27-10-13)4-6-17(16)26-11-18(20)28-21(29)31/h1-11H,(H,27,30)(H,28,31)
InChIKeyRDTYZFUTVKSKLI-UHFFFAOYSA-N
MW422.37 g/mol
LogP4.24
Rot. Bonds2

About 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 127047837) has the molecular formula C22H13F3N4O2 and a molecular weight of 422.37 g/mol. Its IUPAC name is 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID127047837
Molecular FormulaC22H13F3N4O2
Molecular Weight422.37 g/mol
Exact Mass422.10
IUPAC Name8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c[nH]1
InChIInChI=1S/C22H13F3N4O2/c23-22(24,25)14-2-1-3-15(9-14)29-20-16-8-12(13-5-7-19(30)27-10-13)4-6-17(16)26-11-18(20)28-21(29)31/h1-11H,(H,27,30)(H,28,31)
InChIKeyRDTYZFUTVKSKLI-UHFFFAOYSA-N
XLogP4.24
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(6-Aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 51358113
9-(6-aminopyridin-3-yl)-1-(4-fluoro-3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51350805
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
CID 163286312
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 163286325
1-[2-(Dimethylamino)ethyl]-3-[4-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286331
1-[2-(Azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286352
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 163286354
US20230348462, Example 52
CID 163286355
1-[2-(3,3-Difluoroazetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286369

Frequently Asked Questions

What is the IUPAC name of 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 127047837) is 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c[nH]1.
What is the InChIKey of 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is RDTYZFUTVKSKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N4O2/c23-22(24,25)14-2-1-3-15(9-14)29-20-16-8-12(13-5-7-19(30)27-10-13)4-6-17(16)26-11-18(20)28-21(29)31/h1-11H,(H,27,30)(H,28,31).
What are the key properties of 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 422.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127047837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).