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

C24H16F3N5O2 — CID 118087312

IUPACN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C24H16F3N5O2/c1-13(33)30-21-8-6-15(11-29-21)14-5-7-19-18(9-14)22-20(12-28-19)31-23(34)32(22)17-4-2-3-16(10-17)24(25,26)27/h2-12H,1H3,(H,31,34)(H,29,30,33)
InChIKeyCYGYCTGXAHQMIC-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.91
Rot. Bonds3

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

N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide (PubChem CID 118087312) has the molecular formula C24H16F3N5O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
PubChem CID118087312
Molecular FormulaC24H16F3N5O2
Molecular Weight463.42 g/mol
Exact Mass463.13
IUPAC NameN-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C24H16F3N5O2/c1-13(33)30-21-8-6-15(11-29-21)14-5-7-19-18(9-14)22-20(12-28-19)31-23(34)32(22)17-4-2-3-16(10-17)24(25,26)27/h2-12H,1H3,(H,31,34)(H,29,30,33)
InChIKeyCYGYCTGXAHQMIC-UHFFFAOYSA-N
XLogP4.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide (CID 118087312) is N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1.
What is the InChIKey of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
The InChIKey is CYGYCTGXAHQMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2/c1-13(33)30-21-8-6-15(11-29-21)14-5-7-19-18(9-14)22-20(12-28-19)31-23(34)32(22)17-4-2-3-16(10-17)24(25,26)27/h2-12H,1H3,(H,31,34)(H,29,30,33).
What are the key properties of N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide?
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide has a molecular weight of 463.42 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).