[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C24H20F6N4O4 — CID 118022949

IUPAC[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(OC)c1OCC(F)(F)F
InChIInChI=1S/C24H20F6N4O4/c1-34-12-31-10-18(34)23(35,14-5-7-17(32-9-14)24(28,29)30)13-4-6-16-15(8-13)19(36-2)20(21(33-16)37-3)38-11-22(25,26)27/h4-10,12,35H,11H2,1-3H3
InChIKeyKULJKKBKIGFOGQ-UHFFFAOYSA-N
MW542.44 g/mol
LogP4.62
Rot. Bonds7

About [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118022949) has the molecular formula C24H20F6N4O4 and a molecular weight of 542.44 g/mol. Its IUPAC name is [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118022949
Molecular FormulaC24H20F6N4O4
Molecular Weight542.44 g/mol
Exact Mass542.14
IUPAC Name[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(OC)c1OCC(F)(F)F
InChIInChI=1S/C24H20F6N4O4/c1-34-12-31-10-18(34)23(35,14-5-7-17(32-9-14)24(28,29)30)13-4-6-16-15(8-13)19(36-2)20(21(33-16)37-3)38-11-22(25,26)27/h4-10,12,35H,11H2,1-3H3
InChIKeyKULJKKBKIGFOGQ-UHFFFAOYSA-N
XLogP4.62
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 118022949) is [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(OC)c1OCC(F)(F)F.
What is the InChIKey of [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is KULJKKBKIGFOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N4O4/c1-34-12-31-10-18(34)23(35,14-5-7-17(32-9-14)24(28,29)30)13-4-6-16-15(8-13)19(36-2)20(21(33-16)37-3)38-11-22(25,26)27/h4-10,12,35H,11H2,1-3H3.
What are the key properties of [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 542.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethoxy-3-(2,2,2-trifluoroethoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118022949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).