6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one

C27H19ClF3N3O2 — CID 46237008

About 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one (PubChem CID 46237008) has the molecular formula C27H19ClF3N3O2 and a molecular weight of 509.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one
• PubChem CID: 46237008
• Molecular Formula: C27H19ClF3N3O2
• Molecular Weight: 509.92 g/mol
• Exact Mass: 509.11
• IUPAC Name: 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one
• SMILES: Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3ccccc3C(F)(F)F)c2c1
• InChI: InChI=1S/C27H19ClF3N3O2/c1-34-15-32-14-24(34)26(36,16-6-9-18(28)10-7-16)17-8-11-23-21(12-17)20(13-25(35)33-23)19-4-2-3-5-22(19)27(29,30)31/h2-15,36H,1H3,(H,33,35)
• InChIKey: AWGYQZDEUFYYOL-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 70.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.92
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one?

The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one (CID 46237008) is 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one?

The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3ccccc3C(F)(F)F)c2c1.

What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one?

The InChIKey is AWGYQZDEUFYYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF3N3O2/c1-34-15-32-14-24(34)26(36,16-6-9-18(28)10-7-16)17-8-11-23-21(12-17)20(13-25(35)33-23)19-4-2-3-5-22(19)27(29,30)31/h2-15,36H,1H3,(H,33,35).

What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one?

6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one has a molecular weight of 509.92 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-[2-(trifluoromethyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 46237008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).