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

C18H12BrF3N4O — CID 59612954

IUPAC8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1nc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C18H12BrF3N4O/c1-9-13(5-6-15(24-9)18(20,21)22)26-16-11-7-10(19)3-4-12(11)23-8-14(16)25(2)17(26)27/h3-8H,1-2H3
InChIKeyGRVWAWWGKNGIPA-UHFFFAOYSA-N
MW437.22 g/mol
LogP4.36
Rot. Bonds1

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

8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 59612954) has the molecular formula C18H12BrF3N4O and a molecular weight of 437.22 g/mol. Its IUPAC name is 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID59612954
Molecular FormulaC18H12BrF3N4O
Molecular Weight437.22 g/mol
Exact Mass436.01
IUPAC Name8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1nc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C18H12BrF3N4O/c1-9-13(5-6-15(24-9)18(20,21)22)26-16-11-7-10(19)3-4-12(11)23-8-14(16)25(2)17(26)27/h3-8H,1-2H3
InChIKeyGRVWAWWGKNGIPA-UHFFFAOYSA-N
XLogP4.36
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 59612954) is 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is Cc1nc(C(F)(F)F)ccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is GRVWAWWGKNGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N4O/c1-9-13(5-6-15(24-9)18(20,21)22)26-16-11-7-10(19)3-4-12(11)23-8-14(16)25(2)17(26)27/h3-8H,1-2H3.
What are the key properties of 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 437.22 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).