7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

C23H17F3N4O4 — CID 52934040

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C23H17F3N4O4/c1-11-20(12(2)34-29-11)14-8-15-13(9-19(14)32-3)21-16(10-27-15)28-22(31)30(21)17-6-4-5-7-18(17)33-23(24,25)26/h4-10H,1-3H3,(H,28,31)
InChIKeyALRNRROHBGTUFQ-UHFFFAOYSA-N
MW470.41 g/mol
LogP5.05
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 52934040) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID52934040
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12
InChIInChI=1S/C23H17F3N4O4/c1-11-20(12(2)34-29-11)14-8-15-13(9-19(14)32-3)21-16(10-27-15)28-22(31)30(21)17-6-4-5-7-18(17)33-23(24,25)26/h4-10H,1-3H3,(H,28,31)
InChIKeyALRNRROHBGTUFQ-UHFFFAOYSA-N
XLogP5.05
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one (CID 52934040) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(-c3ccccc3OC(F)(F)F)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is ALRNRROHBGTUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c1-11-20(12(2)34-29-11)14-8-15-13(9-19(14)32-3)21-16(10-27-15)28-22(31)30(21)17-6-4-5-7-18(17)33-23(24,25)26/h4-10H,1-3H3,(H,28,31).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 470.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[2-(trifluoromethoxy)phenyl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 52934040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).