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

C24H17F3N4O2 — CID 11979035

IUPAC8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C24H17F3N4O2/c1-30-20-13-28-19-8-6-14(15-7-9-21(33-2)29-12-15)10-18(19)22(20)31(23(30)32)17-5-3-4-16(11-17)24(25,26)27/h3-13H,1-2H3
InChIKeyIHWLYZJHEGYVJS-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.97
Rot. Bonds3

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

8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 11979035) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID11979035
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C24H17F3N4O2/c1-30-20-13-28-19-8-6-14(15-7-9-21(33-2)29-12-15)10-18(19)22(20)31(23(30)32)17-5-3-4-16(11-17)24(25,26)27/h3-13H,1-2H3
InChIKeyIHWLYZJHEGYVJS-UHFFFAOYSA-N
XLogP4.97
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 11979035) is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is IHWLYZJHEGYVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c1-30-20-13-28-19-8-6-14(15-7-9-21(33-2)29-12-15)10-18(19)22(20)31(23(30)32)17-5-3-4-16(11-17)24(25,26)27/h3-13H,1-2H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 450.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).