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

C27H19F3N6O2 — CID 11977654

IUPAC8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(-n3cccn3)c(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C27H19F3N6O2/c1-34-23-15-31-21-7-4-16(17-5-9-24(38-2)32-14-17)12-19(21)25(23)36(26(34)37)18-6-8-22(35-11-3-10-33-35)20(13-18)27(28,29)30/h3-15H,1-2H3
InChIKeyJGAGQLKXLBEIAL-UHFFFAOYSA-N
MW516.48 g/mol
LogP5.15
Rot. Bonds4

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

8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 11977654) has the molecular formula C27H19F3N6O2 and a molecular weight of 516.48 g/mol. Its IUPAC name is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID11977654
Molecular FormulaC27H19F3N6O2
Molecular Weight516.48 g/mol
Exact Mass516.15
IUPAC Name8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(-n3cccn3)c(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C27H19F3N6O2/c1-34-23-15-31-21-7-4-16(17-5-9-24(38-2)32-14-17)12-19(21)25(23)36(26(34)37)18-6-8-22(35-11-3-10-33-35)20(13-18)27(28,29)30/h3-15H,1-2H3
InChIKeyJGAGQLKXLBEIAL-UHFFFAOYSA-N
XLogP5.15
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 11977654) is 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(-n3cccn3)c(C(F)(F)F)c2)c(=O)n4C)cn1.
What is the InChIKey of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is JGAGQLKXLBEIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O2/c1-34-23-15-31-21-7-4-16(17-5-9-24(38-2)32-14-17)12-19(21)25(23)36(26(34)37)18-6-8-22(35-11-3-10-33-35)20(13-18)27(28,29)30/h3-15H,1-2H3.
What are the key properties of 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 516.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11977654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).