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

C27H17F3N4O — CID 11978212

IUPAC3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C27H17F3N4O/c1-33-24-15-32-23-10-9-16(18-11-17-5-2-3-8-22(17)31-14-18)12-21(23)25(24)34(26(33)35)20-7-4-6-19(13-20)27(28,29)30/h2-15H,1H3
InChIKeyLYQBTNNKDTTZGW-UHFFFAOYSA-N
MW470.45 g/mol
LogP6.11
Rot. Bonds2

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

3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 11978212) has the molecular formula C27H17F3N4O and a molecular weight of 470.45 g/mol. Its IUPAC name is 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID11978212
Molecular FormulaC27H17F3N4O
Molecular Weight470.45 g/mol
Exact Mass470.14
IUPAC Name3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C27H17F3N4O/c1-33-24-15-32-23-10-9-16(18-11-17-5-2-3-8-22(17)31-14-18)12-21(23)25(24)34(26(33)35)20-7-4-6-19(13-20)27(28,29)30/h2-15H,1H3
InChIKeyLYQBTNNKDTTZGW-UHFFFAOYSA-N
XLogP6.11
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.45
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 11978212) is 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is LYQBTNNKDTTZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N4O/c1-33-24-15-32-23-10-9-16(18-11-17-5-2-3-8-22(17)31-14-18)12-21(23)25(24)34(26(33)35)20-7-4-6-19(13-20)27(28,29)30/h2-15H,1H3.
What are the key properties of 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 470.45 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).