1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

C20H15F3N4O4S — CID 90750582

IUPAC1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESNc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H15F3N4O4S/c21-20(22,23)32(30,31)13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2
InChIKeyGRGPPAKIIRSYIO-UHFFFAOYSA-N
MW464.43 g/mol
LogP2.82
Rot. Bonds4

About 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (PubChem CID 90750582) has the molecular formula C20H15F3N4O4S and a molecular weight of 464.43 g/mol. Its IUPAC name is 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
PubChem CID90750582
Molecular FormulaC20H15F3N4O4S
Molecular Weight464.43 g/mol
Exact Mass464.08
IUPAC Name1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESNc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H15F3N4O4S/c21-20(22,23)32(30,31)13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2
InChIKeyGRGPPAKIIRSYIO-UHFFFAOYSA-N
XLogP2.82
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91475025
4-hydroxy-1-[[2-(methylamino)quinolin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90968606
1-[(3-fluoroquinolin-4-yl)methyl]-4-hydroxy-5-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91024131
1-[[3-(dimethylamino)quinolin-4-yl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91015074
4-hydroxy-1-[(5-methylquinolin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91188108
4-hydroxy-1-[(2-pyridin-2-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91079111
1-[(3-anilino-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91381967
1-[(3-tert-butyl-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91360287
4-hydroxy-1-[(3-pyrazol-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90997025
ethyl 4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 90765475
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
CID 90958761
4-hydroxy-1-[[2-(phenylsulfamoylamino)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90878282

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The IUPAC name of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (CID 90750582) is 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is Nc1cnc2ccccc2c1Cn1cc(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The InChIKey is GRGPPAKIIRSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O4S/c21-20(22,23)32(30,31)13-7-5-12(6-8-13)27-18(28)11-26(19(27)29)10-15-14-3-1-2-4-17(14)25-9-16(15)24/h1-9,11,28H,10,24H2.
What are the key properties of 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one has a molecular weight of 464.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is sourced from PubChem (CID 90750582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).