2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline

C29H18FN3O — CID 164826690

IUPAC2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
SMILESCc1nc2ccccc2c2c1nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1
InChIInChI=1S/C29H18FN3O/c1-17-26-27(19-11-5-7-13-23(19)31-17)33(18-9-3-2-4-10-18)29(32-26)21-15-16-22(30)25-20-12-6-8-14-24(20)34-28(21)25/h2-16H,1H3
InChIKeyVGXYTGAWAPBPFJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP7.59
Rot. Bonds2

About 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline

2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline (PubChem CID 164826690) has the molecular formula C29H18FN3O and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
PubChem CID164826690
Molecular FormulaC29H18FN3O
Molecular Weight443.48 g/mol
Exact Mass443.14
IUPAC Name2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
SMILESCc1nc2ccccc2c2c1nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1
InChIInChI=1S/C29H18FN3O/c1-17-26-27(19-11-5-7-13-23(19)31-17)33(18-9-3-2-4-10-18)29(32-26)21-15-16-22(30)25-20-12-6-8-14-24(20)34-28(21)25/h2-16H,1H3
InChIKeyVGXYTGAWAPBPFJ-UHFFFAOYSA-N
XLogP7.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
CID 164826973
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164825457
6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-e]tetrazine
CID 164824366
7-methyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-c]pyridine
CID 164826577
2-(1-fluorodibenzofuran-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659191
2-(1-fluoro-3H-dibenzofuran-3-id-4-yl)-4,6,7-trimethyl-1-phenylimidazo[4,5-c]pyridine;iridium;2-phenylpyridine
CID 164824787
7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
CID 164825336
6-(1-methyldibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
CID 164825734
2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164825150
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 156658601
7-fluoro-1-(4-phenylphenyl)-2-[7-phenyl-1-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]benzimidazole
CID 171435999

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline (CID 164826690) is 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline is Cc1nc2ccccc2c2c1nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1.
What is the InChIKey of 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
The InChIKey is VGXYTGAWAPBPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FN3O/c1-17-26-27(19-11-5-7-13-23(19)31-17)33(18-9-3-2-4-10-18)29(32-26)21-15-16-22(30)25-20-12-6-8-14-24(20)34-28(21)25/h2-16H,1H3.
What are the key properties of 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline?
2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline has a molecular weight of 443.48 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline is sourced from PubChem (CID 164826690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).