3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline

C19H11Cl2F2N3O — CID 25267300

IUPAC3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline
SMILESCOc1cc(F)c(-n2c(Cl)nc(Cl)c2-c2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C19H11Cl2F2N3O/c1-27-12-7-13(22)17(14(23)8-12)26-16(18(20)25-19(26)21)11-6-10-4-2-3-5-15(10)24-9-11/h2-9H,1H3
InChIKeyDEVRUNIDTSERSY-UHFFFAOYSA-N
MW406.22 g/mol
LogP5.68
Rot. Bonds3

About 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline

3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline (PubChem CID 25267300) has the molecular formula C19H11Cl2F2N3O and a molecular weight of 406.22 g/mol. Its IUPAC name is 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline.

Molecular Properties

Compound Name3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline
PubChem CID25267300
Molecular FormulaC19H11Cl2F2N3O
Molecular Weight406.22 g/mol
Exact Mass405.02
IUPAC Name3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline
SMILESCOc1cc(F)c(-n2c(Cl)nc(Cl)c2-c2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C19H11Cl2F2N3O/c1-27-12-7-13(22)17(14(23)8-12)26-16(18(20)25-19(26)21)11-6-10-4-2-3-5-15(10)24-9-11/h2-9H,1H3
InChIKeyDEVRUNIDTSERSY-UHFFFAOYSA-N
XLogP5.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.22
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]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

3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56977470
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
CID 39226750
3-(3-fluoro-6-methyl-2-pyridinyl)quinoline
CID 166386545
3-(6-methoxypyridazin-3-yl)quinoline
CID 72888998
3-(5-bromo-2-methoxy-4-pyridinyl)quinoline
CID 12012242
4-ethyl-5-fluoro-1-quinolin-3-yl-3,4-dihydroisoquinoline
CID 71424801

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline?
The IUPAC name of 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline (CID 25267300) is 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline.
What is the SMILES notation for 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline?
The canonical SMILES for 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline is COc1cc(F)c(-n2c(Cl)nc(Cl)c2-c2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline?
The InChIKey is DEVRUNIDTSERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F2N3O/c1-27-12-7-13(22)17(14(23)8-12)26-16(18(20)25-19(26)21)11-6-10-4-2-3-5-15(10)24-9-11/h2-9H,1H3.
What are the key properties of 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline?
3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline has a molecular weight of 406.22 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dichloro-3-(2,6-difluoro-4-methoxyphenyl)imidazol-4-yl]quinoline is sourced from PubChem (CID 25267300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).