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

C23H15F3N4O — CID 11978213

IUPAC3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C23H15F3N4O/c1-29-20-13-28-19-8-7-14(15-4-3-9-27-12-15)10-18(19)21(20)30(22(29)31)17-6-2-5-16(11-17)23(24,25)26/h2-13H,1H3
InChIKeyNUYGZSQAEOMHNJ-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.96
Rot. Bonds2

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

3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 11978213) has the molecular formula C23H15F3N4O and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID11978213
Molecular FormulaC23H15F3N4O
Molecular Weight420.39 g/mol
Exact Mass420.12
IUPAC Name3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C23H15F3N4O/c1-29-20-13-28-19-8-7-14(15-4-3-9-27-12-15)10-18(19)21(20)30(22(29)31)17-6-2-5-16(11-17)23(24,25)26/h2-13H,1H3
InChIKeyNUYGZSQAEOMHNJ-UHFFFAOYSA-N
XLogP4.96
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Dactolisib
CID 11977753
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-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 11978213) is 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-8-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(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is NUYGZSQAEOMHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O/c1-29-20-13-28-19-8-7-14(15-4-3-9-27-12-15)10-18(19)21(20)30(22(29)31)17-6-2-5-16(11-17)23(24,25)26/h2-13H,1H3.
What are the key properties of 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 420.39 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11978213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).