[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

C28H20F6N4O2 — CID 86716147

IUPAC[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1c(-c2ccccc2)c(C(F)(F)F)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc12
InChIInChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3
InChIKeyRHGHEFUNPQAKRE-UHFFFAOYSA-N
MW558.48 g/mol
LogP6.36
Rot. Bonds5

About [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol

[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 86716147) has the molecular formula C28H20F6N4O2 and a molecular weight of 558.48 g/mol. Its IUPAC name is [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID86716147
Molecular FormulaC28H20F6N4O2
Molecular Weight558.48 g/mol
Exact Mass558.15
IUPAC Name[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCOc1c(-c2ccccc2)c(C(F)(F)F)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc12
InChIInChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3
InChIKeyRHGHEFUNPQAKRE-UHFFFAOYSA-N
XLogP6.36
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.48
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol (CID 86716147) is [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is COc1c(-c2ccccc2)c(C(F)(F)F)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc12.
What is the InChIKey of [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is RHGHEFUNPQAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N4O2/c1-38-15-35-14-22(38)26(39,18-9-11-21(36-13-18)27(29,30)31)17-8-10-20-19(12-17)24(40-2)23(16-6-4-3-5-7-16)25(37-20)28(32,33)34/h3-15,39H,1-2H3.
What are the key properties of [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol?
[4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 558.48 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 86716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).