6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one

C28H23ClFN3O2 — CID 46237259

IUPAC6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H23ClFN3O2/c1-32-17-31-16-26(32)28(35-3,19-6-9-21(29)10-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-11-22(30)12-5-18/h4-17H,1-3H3
InChIKeyZDJZIVFLUPLDLB-UHFFFAOYSA-N
MW487.96 g/mol
LogP5.67
Rot. Bonds5

About 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one

6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one (PubChem CID 46237259) has the molecular formula C28H23ClFN3O2 and a molecular weight of 487.96 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one
PubChem CID46237259
Molecular FormulaC28H23ClFN3O2
Molecular Weight487.96 g/mol
Exact Mass487.15
IUPAC Name6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one
SMILESCOC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C28H23ClFN3O2/c1-32-17-31-16-26(32)28(35-3,19-6-9-21(29)10-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-11-22(30)12-5-18/h4-17H,1-3H3
InChIKeyZDJZIVFLUPLDLB-UHFFFAOYSA-N
XLogP5.67
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.96
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cp-609754
CID 46208720
6-[(R)-(4-Chlorophenyl)(Methoxy)(1-Methyl-1h-Imidazol-5-Yl)methyl]-4-(2,6-Difluorophenyl)-1-Methylquinolin-2(1h)-One
CID 46237408
4-[(5-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl](hydroxy)methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 9826475
4-{[5-({[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methoxy}methyl)-1H-imidazol-1-yl]methyl}benzonitrile
CID 23646767
9-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 11038422
4-({[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methoxy}(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile
CID 23646768
4-(3-Chloro-2-methylphenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25258603
4-(3-Chloro-2-methylphenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 44590272
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methylphenyl)quinolin-2-one
CID 46237002
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-[2-(trifluoromethyl)phenyl]quinolin-2-one
CID 46237004
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2-fluorophenyl)-1-methylquinolin-2-one
CID 46237127
4-(phenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 46237255

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one (CID 46237259) is 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one is COC(c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one?
The InChIKey is ZDJZIVFLUPLDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN3O2/c1-32-17-31-16-26(32)28(35-3,19-6-9-21(29)10-7-19)20-8-13-25-24(14-20)23(15-27(34)33(25)2)18-4-11-22(30)12-5-18/h4-17H,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one?
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one has a molecular weight of 487.96 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(4-fluorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 46237259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).