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

C23H15F3N4O — CID 118087455

IUPAC8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C23H15F3N4O/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)29-22(31)30(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3,(H,29,31)
InChIKeyZDXFKGBFCIOYCB-UHFFFAOYSA-N
MW420.39 g/mol
LogP5.26
Rot. Bonds2

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

8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118087455) has the molecular formula C23H15F3N4O and a molecular weight of 420.39 g/mol. Its IUPAC name is 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118087455
Molecular FormulaC23H15F3N4O
Molecular Weight420.39 g/mol
Exact Mass420.12
IUPAC Name8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C23H15F3N4O/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)29-22(31)30(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3,(H,29,31)
InChIKeyZDXFKGBFCIOYCB-UHFFFAOYSA-N
XLogP5.26
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118087455) is 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is Cc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is ZDXFKGBFCIOYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O/c1-13-5-6-15(11-27-13)14-7-8-19-18(9-14)21-20(12-28-19)29-22(31)30(21)17-4-2-3-16(10-17)23(24,25)26/h2-12H,1H3,(H,29,31).
What are the key properties of 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 420.39 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118087455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).