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

C24H13F3N4O — CID 118087427

IUPAC3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c1
InChIInChI=1S/C24H13F3N4O/c25-24(26,27)17-5-2-6-18(11-17)31-22-19-10-16(15-4-1-3-14(9-15)12-28)7-8-20(19)29-13-21(22)30-23(31)32/h1-11,13H,(H,30,32)
InChIKeyOOOBDANQXBLKKW-UHFFFAOYSA-N
MW430.39 g/mol
LogP5.42
Rot. Bonds2

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

3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile (PubChem CID 118087427) has the molecular formula C24H13F3N4O and a molecular weight of 430.39 g/mol. Its IUPAC name is 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile
PubChem CID118087427
Molecular FormulaC24H13F3N4O
Molecular Weight430.39 g/mol
Exact Mass430.10
IUPAC Name3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c1
InChIInChI=1S/C24H13F3N4O/c25-24(26,27)17-5-2-6-18(11-17)31-22-19-10-16(15-4-1-3-14(9-15)12-28)7-8-20(19)29-13-21(22)30-23(31)32/h1-11,13H,(H,30,32)
InChIKeyOOOBDANQXBLKKW-UHFFFAOYSA-N
XLogP5.42
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The IUPAC name of 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile (CID 118087427) is 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile.
What is the SMILES notation for 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The canonical SMILES for 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile is N#Cc1cccc(-c2ccc3ncc4[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)c1.
What is the InChIKey of 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile?
The InChIKey is OOOBDANQXBLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3N4O/c25-24(26,27)17-5-2-6-18(11-17)31-22-19-10-16(15-4-1-3-14(9-15)12-28)7-8-20(19)29-13-21(22)30-23(31)32/h1-11,13H,(H,30,32).
What are the key properties of 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile?
3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile has a molecular weight of 430.39 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-1-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinolin-8-yl]benzonitrile is sourced from PubChem (CID 118087427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).