1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline

C24H16F3N3O — CID 175554766

IUPAC1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-n2c(C)nc3cnc4ccc(-c5cc(F)c(F)c(F)c5)cc4c32)cc1
InChIInChI=1S/C24H16F3N3O/c1-13-29-22-12-28-21-8-3-14(15-10-19(25)23(27)20(26)11-15)9-18(21)24(22)30(13)16-4-6-17(31-2)7-5-16/h3-12H,1-2H3
InChIKeyJPCZIEYOXLCUPM-UHFFFAOYSA-N
MW419.41 g/mol
LogP5.98
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline

1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline (PubChem CID 175554766) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline
PubChem CID175554766
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline
SMILESCOc1ccc(-n2c(C)nc3cnc4ccc(-c5cc(F)c(F)c(F)c5)cc4c32)cc1
InChIInChI=1S/C24H16F3N3O/c1-13-29-22-12-28-21-8-3-14(15-10-19(25)23(27)20(26)11-15)9-18(21)24(22)30(13)16-4-6-17(31-2)7-5-16/h3-12H,1-2H3
InChIKeyJPCZIEYOXLCUPM-UHFFFAOYSA-N
XLogP5.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[8-[3-(hydroxymethyl)-4-methoxyphenyl]-2-methylimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 175554781
2-[4-[8-(4-aminophenyl)-2-methylimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 175554808
8-fluoro-1-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20953354
1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
CID 134438123
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
1-(4-fluorophenyl)-8-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 20852568
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methyl-8-(2-pyridin-3-ylethynyl)imidazo[4,5-c]quinoline
CID 141114452
3-(4-methoxyphenyl)-2-methylimidazo[4,5-c]pyridine
CID 24856151
3-(4-bromophenyl)-4-(4-methoxyphenyl)-5-methyl-1,2,4-triazole
CID 58997471
8-methoxy-2-(4-methylphenyl)pyrazolo[3,4-c]quinoline
CID 141354712
8-chloro-1-(2-chlorophenyl)-2-methylimidazo[4,5-c]quinoline
CID 10381814

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline (CID 175554766) is 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline is COc1ccc(-n2c(C)nc3cnc4ccc(-c5cc(F)c(F)c(F)c5)cc4c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline?
The InChIKey is JPCZIEYOXLCUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c1-13-29-22-12-28-21-8-3-14(15-10-19(25)23(27)20(26)11-15)9-18(21)24(22)30(13)16-4-6-17(31-2)7-5-16/h3-12H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline?
1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline has a molecular weight of 419.41 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-8-(3,4,5-trifluorophenyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 175554766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).