N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide

C25H18F3N5O2 — CID 118077858

IUPACN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C25H18F3N5O2/c1-14(34)31-22-9-7-16(12-30-22)15-6-8-20-19(10-15)23-21(13-29-20)32(2)24(35)33(23)18-5-3-4-17(11-18)25(26,27)28/h3-13H,1-2H3,(H,30,31,34)
InChIKeyGLHVGWALQONMQW-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.92
Rot. Bonds3

About N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide

N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide (PubChem CID 118077858) has the molecular formula C25H18F3N5O2 and a molecular weight of 477.45 g/mol. Its IUPAC name is N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
PubChem CID118077858
Molecular FormulaC25H18F3N5O2
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC NameN-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1
InChIInChI=1S/C25H18F3N5O2/c1-14(34)31-22-9-7-16(12-30-22)15-6-8-20-19(10-15)23-21(13-29-20)32(2)24(35)33(23)18-5-3-4-17(11-18)25(26,27)28/h3-13H,1-2H3,(H,30,31,34)
InChIKeyGLHVGWALQONMQW-UHFFFAOYSA-N
XLogP4.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide (CID 118077858) is N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc4c(c3c2)n(-c2cccc(C(F)(F)F)c2)c(=O)n4C)cn1.
What is the InChIKey of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The InChIKey is GLHVGWALQONMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2/c1-14(34)31-22-9-7-16(12-30-22)15-6-8-20-19(10-15)23-21(13-29-20)32(2)24(35)33(23)18-5-3-4-17(11-18)25(26,27)28/h3-13H,1-2H3,(H,30,31,34).
What are the key properties of N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide has a molecular weight of 477.45 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118077858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).