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

C23H15F3N4O2 — CID 127047838

IUPAC3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(=O)[nH]c4)ccc3ncc21
InChIInChI=1S/C23H15F3N4O2/c1-29-19-12-27-18-7-5-13(14-6-8-20(31)28-11-14)9-17(18)21(19)30(22(29)32)16-4-2-3-15(10-16)23(24,25)26/h2-12H,1H3,(H,28,31)
InChIKeyAJBWONSHLBMABY-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.25
Rot. Bonds2

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

3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 127047838) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID127047838
Molecular FormulaC23H15F3N4O2
Molecular Weight436.39 g/mol
Exact Mass436.11
IUPAC Name3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(=O)[nH]c4)ccc3ncc21
InChIInChI=1S/C23H15F3N4O2/c1-29-19-12-27-18-7-5-13(14-6-8-20(31)28-11-14)9-17(18)21(19)30(22(29)32)16-4-2-3-15(10-16)23(24,25)26/h2-12H,1H3,(H,28,31)
InChIKeyAJBWONSHLBMABY-UHFFFAOYSA-N
XLogP4.25
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 127047838) is 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4ccc(=O)[nH]c4)ccc3ncc21.
What is the InChIKey of 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is AJBWONSHLBMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c1-29-19-12-27-18-7-5-13(14-6-8-20(31)28-11-14)9-17(18)21(19)30(22(29)32)16-4-2-3-15(10-16)23(24,25)26/h2-12H,1H3,(H,28,31).
What are the key properties of 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 436.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(6-oxo-1H-pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127047838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).