7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one

C18H12F3N3O2 — CID 121484650

IUPAC7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one
SMILESCc1ccc2c(ccc3c2[nH]c(=O)n3-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F3N3O2/c1-10-2-7-13-14(22-10)8-9-15-16(13)23-17(25)24(15)11-3-5-12(6-4-11)26-18(19,20)21/h2-9H,1H3,(H,23,25)
InChIKeyMXVYUVARRNXEDV-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.07
Rot. Bonds2

About 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one

7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one (PubChem CID 121484650) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one
PubChem CID121484650
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one
SMILESCc1ccc2c(ccc3c2[nH]c(=O)n3-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C18H12F3N3O2/c1-10-2-7-13-14(22-10)8-9-15-16(13)23-17(25)24(15)11-3-5-12(6-4-11)26-18(19,20)21/h2-9H,1H3,(H,23,25)
InChIKeyMXVYUVARRNXEDV-UHFFFAOYSA-N
XLogP4.07
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one?
The IUPAC name of 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one (CID 121484650) is 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one?
The canonical SMILES for 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one is Cc1ccc2c(ccc3c2[nH]c(=O)n3-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one?
The InChIKey is MXVYUVARRNXEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-10-2-7-13-14(22-10)8-9-15-16(13)23-17(25)24(15)11-3-5-12(6-4-11)26-18(19,20)21/h2-9H,1H3,(H,23,25).
What are the key properties of 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one?
7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one has a molecular weight of 359.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[4-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-f]quinolin-2-one is sourced from PubChem (CID 121484650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).