2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one

C22H13ClFN3O — CID 56589615

IUPAC2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(-c3c(F)cccc3Cl)[nH]c12
InChIInChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
InChIKeyVTGCIWWYBFGGNJ-UHFFFAOYSA-N
MW389.82 g/mol
LogP5.53
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one

2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one (PubChem CID 56589615) has the molecular formula C22H13ClFN3O and a molecular weight of 389.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
PubChem CID56589615
Molecular FormulaC22H13ClFN3O
Molecular Weight389.82 g/mol
Exact Mass389.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(-c3c(F)cccc3Cl)[nH]c12
InChIInChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
InChIKeyVTGCIWWYBFGGNJ-UHFFFAOYSA-N
XLogP5.53
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.82
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one (CID 56589615) is 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one is O=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(-c3c(F)cccc3Cl)[nH]c12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
The InChIKey is VTGCIWWYBFGGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one?
2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one has a molecular weight of 389.82 g/mol, XLogP of 5.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-7-phenyl-3,5-dihydroimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 56589615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).