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

C24H17F3N4O — CID 118077896

IUPAC8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(N)c4)ccc3ncc21
InChIInChI=1S/C24H17F3N4O/c1-30-21-13-29-20-9-8-15(14-4-2-6-17(28)10-14)11-19(20)22(21)31(23(30)32)18-7-3-5-16(12-18)24(25,26)27/h2-13H,28H2,1H3
InChIKeyNLYATOKLMQAXMT-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.15
Rot. Bonds2

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

8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 118077896) has the molecular formula C24H17F3N4O and a molecular weight of 434.42 g/mol. Its IUPAC name is 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
PubChem CID118077896
Molecular FormulaC24H17F3N4O
Molecular Weight434.42 g/mol
Exact Mass434.14
IUPAC Name8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(N)c4)ccc3ncc21
InChIInChI=1S/C24H17F3N4O/c1-30-21-13-29-20-9-8-15(14-4-2-6-17(28)10-14)11-19(20)22(21)31(23(30)32)18-7-3-5-16(12-18)24(25,26)27/h2-13H,28H2,1H3
InChIKeyNLYATOKLMQAXMT-UHFFFAOYSA-N
XLogP5.15
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one (CID 118077896) is 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2cccc(C(F)(F)F)c2)c2c3cc(-c4cccc(N)c4)ccc3ncc21.
What is the InChIKey of 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is NLYATOKLMQAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O/c1-30-21-13-29-20-9-8-15(14-4-2-6-17(28)10-14)11-19(20)22(21)31(23(30)32)18-7-3-5-16(12-18)24(25,26)27/h2-13H,28H2,1H3.
What are the key properties of 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one?
8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 434.42 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminophenyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118077896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).