7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

C23H17F3N4O2 — CID 52933562

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(Cc3ccccc3C(F)(F)F)c12
InChIInChI=1S/C23H17F3N4O2/c1-12-20(13(2)32-29-12)14-7-8-16-18(9-14)27-10-19-21(16)30(22(31)28-19)11-15-5-3-4-6-17(15)23(24,25)26/h3-10H,11H2,1-2H3,(H,28,31)
InChIKeySIFGAZBOQQHKJL-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.22
Rot. Bonds3

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 52933562) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID52933562
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(Cc3ccccc3C(F)(F)F)c12
InChIInChI=1S/C23H17F3N4O2/c1-12-20(13(2)32-29-12)14-7-8-16-18(9-14)27-10-19-21(16)30(22(31)28-19)11-15-5-3-4-6-17(15)23(24,25)26/h3-10H,11H2,1-2H3,(H,28,31)
InChIKeySIFGAZBOQQHKJL-UHFFFAOYSA-N
XLogP5.22
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 52933562) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is Cc1noc(C)c1-c1ccc2c(c1)ncc1[nH]c(=O)n(Cc3ccccc3C(F)(F)F)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is SIFGAZBOQQHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-12-20(13(2)32-29-12)14-7-8-16-18(9-14)27-10-19-21(16)30(22(31)28-19)11-15-5-3-4-6-17(15)23(24,25)26/h3-10H,11H2,1-2H3,(H,28,31).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 438.41 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 52933562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).