ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

C31H24Cl2N4O3 — CID 23388901

IUPACethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc32)n1
InChIInChI=1S/C31H24Cl2N4O3/c1-3-40-30(38)26-17-37-27-12-9-21(14-25(27)24(15-29(37)35-26)19-5-4-6-23(33)13-19)31(39,28-16-34-18-36(28)2)20-7-10-22(32)11-8-20/h4-18,39H,3H2,1-2H3
InChIKeyGHYCGOZCYWYVCD-UHFFFAOYSA-N
MW571.46 g/mol
LogP6.66
Rot. Bonds6

About ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 23388901) has the molecular formula C31H24Cl2N4O3 and a molecular weight of 571.46 g/mol. Its IUPAC name is ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
PubChem CID23388901
Molecular FormulaC31H24Cl2N4O3
Molecular Weight571.46 g/mol
Exact Mass570.12
IUPAC Nameethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc32)n1
InChIInChI=1S/C31H24Cl2N4O3/c1-3-40-30(38)26-17-37-27-12-9-21(14-25(27)24(15-29(37)35-26)19-5-4-6-23(33)13-19)31(39,28-16-34-18-36(28)2)20-7-10-22(32)11-8-20/h4-18,39H,3H2,1-2H3
InChIKeyGHYCGOZCYWYVCD-UHFFFAOYSA-N
XLogP6.66
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.46
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[(4-Chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
CID 16723918
US10201546, Example 3
CID 118031352
(4-Chlorophenyl)-[4-(3-chlorophenyl)-2-[(z)-3-(dimethylamino)prop-1-enyl]quinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 58635553
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388928
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388987
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 23388988
[5-[2-(3-Chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
CID 58722272
(4-Chlorophenyl)-[5-[2-(3-fluorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 58722276
3-benzyl-4-chloro-6-[5-chloro-1-(3-methylimidazol-4-yl)-3H-2-benzofuran-1-yl]-2-(trifluoromethyl)quinoline
CID 147409038
(+/-)-alpha-(4-chlorophenyl)-alpha-(1-methyl-1H-imidazol-5-yl)-5-phenylimidazo[1,2-a]quinoline-7-methanol
CID 9804515
3-(3-chlorophenyl)-5-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-N,N-dimethylindole-1-carboxamide
CID 9892848
(4-Chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
CID 9913852

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (CID 23388901) is ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc32)n1.
What is the InChIKey of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is GHYCGOZCYWYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl2N4O3/c1-3-40-30(38)26-17-37-27-12-9-21(14-25(27)24(15-29(37)35-26)19-5-4-6-23(33)13-19)31(39,28-16-34-18-36(28)2)20-7-10-22(32)11-8-20/h4-18,39H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?
ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 571.46 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 23388901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).