1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C23H19ClF3N3O4 — CID 59694313

IUPAC1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2ncc(Cl)c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1
InChIInChI=1S/C23H19ClF3N3O4/c1-22(2)20(31)30(13-4-6-14(7-5-13)34-23(25,26)27)21(32)29(22)12-17-16-10-15(33-3)8-9-19(16)28-11-18(17)24/h4-11H,12H2,1-3H3
InChIKeyDHFJFLVDYRHEFJ-UHFFFAOYSA-N
MW493.87 g/mol
LogP5.54
Rot. Bonds5

About 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 59694313) has the molecular formula C23H19ClF3N3O4 and a molecular weight of 493.87 g/mol. Its IUPAC name is 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
PubChem CID59694313
Molecular FormulaC23H19ClF3N3O4
Molecular Weight493.87 g/mol
Exact Mass493.10
IUPAC Name1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2ncc(Cl)c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1
InChIInChI=1S/C23H19ClF3N3O4/c1-22(2)20(31)30(13-4-6-14(7-5-13)34-23(25,26)27)21(32)29(22)12-17-16-10-15(33-3)8-9-19(16)28-11-18(17)24/h4-11H,12H2,1-3H3
InChIKeyDHFJFLVDYRHEFJ-UHFFFAOYSA-N
XLogP5.54
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.87
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 59694313) is 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is COc1ccc2ncc(Cl)c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1.
What is the InChIKey of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
The InChIKey is DHFJFLVDYRHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O4/c1-22(2)20(31)30(13-4-6-14(7-5-13)34-23(25,26)27)21(32)29(22)12-17-16-10-15(33-3)8-9-19(16)28-11-18(17)24/h4-11H,12H2,1-3H3.
What are the key properties of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?
1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 493.87 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59694313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).