(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C27H22F3N3O5 — CID 165166989

IUPAC(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1cc2nccc(Oc3ccc(N4C(=O)N(c5cccc(C(F)(F)F)c5)C[C@H]4O)cc3)c2cc1OC
InChIInChI=1S/C27H22F3N3O5/c1-36-23-13-20-21(14-24(23)37-2)31-11-10-22(20)38-19-8-6-17(7-9-19)33-25(34)15-32(26(33)35)18-5-3-4-16(12-18)27(28,29)30/h3-14,25,34H,15H2,1-2H3/t25-/m1/s1
InChIKeySHIDHZBSPPPDES-RUZDIDTESA-N
MW525.48 g/mol
LogP5.83
Rot. Bonds6

About (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 165166989) has the molecular formula C27H22F3N3O5 and a molecular weight of 525.48 g/mol. Its IUPAC name is (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID165166989
Molecular FormulaC27H22F3N3O5
Molecular Weight525.48 g/mol
Exact Mass525.15
IUPAC Name(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1cc2nccc(Oc3ccc(N4C(=O)N(c5cccc(C(F)(F)F)c5)C[C@H]4O)cc3)c2cc1OC
InChIInChI=1S/C27H22F3N3O5/c1-36-23-13-20-21(14-24(23)37-2)31-11-10-22(20)38-19-8-6-17(7-9-19)33-25(34)15-32(26(33)35)18-5-3-4-16(12-18)27(28,29)30/h3-14,25,34H,15H2,1-2H3/t25-/m1/s1
InChIKeySHIDHZBSPPPDES-RUZDIDTESA-N
XLogP5.83
TPSA84.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(6,7-dimethoxyquinolin-4-yl)sulfanylphenyl]-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 165167137
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 54212873
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
CID 58272759
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-[7-(6,7-dimethoxyquinolin-4-yl)oxy-2H-1,4-benzothiazin-3-yl]-3-(trifluoromethyl)benzamide
CID 143085606
N-[1-[4-[3-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-oxoimidazolidin-1-yl]-2-(trifluoromethyl)phenyl]piperidin-4-yl]prop-2-enamide
CID 126738306
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-[4-(trifluoromethoxy)phenyl]methanone
CID 22132745
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
3-(4-bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 14050274
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 165166989) is (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1cc2nccc(Oc3ccc(N4C(=O)N(c5cccc(C(F)(F)F)c5)C[C@H]4O)cc3)c2cc1OC.
What is the InChIKey of (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is SHIDHZBSPPPDES-RUZDIDTESA-N. The full InChI is InChI=1S/C27H22F3N3O5/c1-36-23-13-20-21(14-24(23)37-2)31-11-10-22(20)38-19-8-6-17(7-9-19)33-25(34)15-32(26(33)35)18-5-3-4-16(12-18)27(28,29)30/h3-14,25,34H,15H2,1-2H3/t25-/m1/s1.
What are the key properties of (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
(4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 525.48 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-hydroxy-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 165166989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).