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

C26H20F4N4O2 — CID 71553672

IUPAC8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cc1OCCF
InChIInChI=1S/C26H20F4N4O2/c1-15-23(36-9-8-27)11-17(13-31-15)16-6-7-21-20(10-16)24-22(14-32-21)33(2)25(35)34(24)19-5-3-4-18(12-19)26(28,29)30/h3-7,10-14H,8-9H2,1-2H3
InChIKeyFIEPLGIZTVYKGR-UHFFFAOYSA-N
MW496.46 g/mol
LogP5.61
Rot. Bonds5

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

8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 71553672) has the molecular formula C26H20F4N4O2 and a molecular weight of 496.46 g/mol. Its IUPAC name is 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID71553672
Molecular FormulaC26H20F4N4O2
Molecular Weight496.46 g/mol
Exact Mass496.15
IUPAC Name8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cc1OCCF
InChIInChI=1S/C26H20F4N4O2/c1-15-23(36-9-8-27)11-17(13-31-15)16-6-7-21-20(10-16)24-22(14-32-21)33(2)25(35)34(24)19-5-3-4-18(12-19)26(28,29)30/h3-7,10-14H,8-9H2,1-2H3
InChIKeyFIEPLGIZTVYKGR-UHFFFAOYSA-N
XLogP5.61
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 71553672) is 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cc1OCCF.
What is the InChIKey of 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is FIEPLGIZTVYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N4O2/c1-15-23(36-9-8-27)11-17(13-31-15)16-6-7-21-20(10-16)24-22(14-32-21)33(2)25(35)34(24)19-5-3-4-18(12-19)26(28,29)30/h3-7,10-14H,8-9H2,1-2H3.
What are the key properties of 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 496.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 71553672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).