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

C29H23ClF3N3O2 — CID 46236479

IUPAC4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(C(F)(F)F)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H23ClF3N3O2/c1-35-17-34-16-26(35)28(38-3,19-7-9-20(10-8-19)29(31,32)33)21-11-12-25-24(14-21)23(15-27(37)36(25)2)18-5-4-6-22(30)13-18/h4-17H,1-3H3
InChIKeyMIFVXQZNXOGPLK-UHFFFAOYSA-N
MW537.97 g/mol
LogP6.55
Rot. Bonds5

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

4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one (PubChem CID 46236479) has the molecular formula C29H23ClF3N3O2 and a molecular weight of 537.97 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one
PubChem CID46236479
Molecular FormulaC29H23ClF3N3O2
Molecular Weight537.97 g/mol
Exact Mass537.14
IUPAC Name4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one
SMILESCOC(c1ccc(C(F)(F)F)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C
InChIInChI=1S/C29H23ClF3N3O2/c1-35-17-34-16-26(35)28(38-3,19-7-9-20(10-8-19)29(31,32)33)21-11-12-25-24(14-21)23(15-27(37)36(25)2)18-5-4-6-22(30)13-18/h4-17H,1-3H3
InChIKeyMIFVXQZNXOGPLK-UHFFFAOYSA-N
XLogP6.55
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.97
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-(3-chlorophenyl)-6-[(4-ethylphenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 46237795
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
CID 46237255
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 46237254
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
4-(3-chlorophenyl)-6-[hydroxy-[4-[(E)-methoxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 21082006
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 11592576
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 59334673
4-(3-chlorophenyl)-6-[hydroxy-[4-[(2-hydroxyethylamino)methyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 58799365
4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-1,8-naphthyridin-2-one
CID 159184749
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one (CID 46236479) is 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one is COC(c1ccc(C(F)(F)F)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1cncn1C.
What is the InChIKey of 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one?
The InChIKey is MIFVXQZNXOGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF3N3O2/c1-35-17-34-16-26(35)28(38-3,19-7-9-20(10-8-19)29(31,32)33)21-11-12-25-24(14-21)23(15-27(37)36(25)2)18-5-4-6-22(30)13-18/h4-17H,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one has a molecular weight of 537.97 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 46236479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).