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

C24H17F3N4O — CID 127047447

IUPAC3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C24H17F3N4O/c1-14-6-7-16(12-28-14)15-8-9-20-19(10-15)22-21(13-29-20)30(2)23(32)31(22)18-5-3-4-17(11-18)24(25,26)27/h3-13H,1-2H3
InChIKeyFDSFFWFELZQUKW-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.27
Rot. Bonds2

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

3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 127047447) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID127047447
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C24H17F3N4O/c1-14-6-7-16(12-28-14)15-8-9-20-19(10-15)22-21(13-29-20)30(2)23(32)31(22)18-5-3-4-17(11-18)24(25,26)27/h3-13H,1-2H3
InChIKeyFDSFFWFELZQUKW-UHFFFAOYSA-N
XLogP5.27
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 127047447) is 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1.
What is the InChIKey of 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is FDSFFWFELZQUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c1-14-6-7-16(12-28-14)15-8-9-20-19(10-15)22-21(13-29-20)30(2)23(32)31(22)18-5-3-4-17(11-18)24(25,26)27/h3-13H,1-2H3.
What are the key properties of 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 434.42 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(6-methyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 127047447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).