7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline

C23H20F3N3O3 — CID 56605160

IUPAC7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESCOc1ccc(COc2cc(-n3ccc(C(F)(F)F)n3)nc3c(C)c(OC)ccc23)cc1
InChIInChI=1S/C23H20F3N3O3/c1-14-18(31-3)9-8-17-19(32-13-15-4-6-16(30-2)7-5-15)12-21(27-22(14)17)29-11-10-20(28-29)23(24,25)26/h4-12H,13H2,1-3H3
InChIKeyFJVZTNNGRFPYGI-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.34
Rot. Bonds6

About 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline

7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline (PubChem CID 56605160) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
PubChem CID56605160
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
SMILESCOc1ccc(COc2cc(-n3ccc(C(F)(F)F)n3)nc3c(C)c(OC)ccc23)cc1
InChIInChI=1S/C23H20F3N3O3/c1-14-18(31-3)9-8-17-19(32-13-15-4-6-16(30-2)7-5-15)12-21(27-22(14)17)29-11-10-20(28-29)23(24,25)26/h4-12H,13H2,1-3H3
InChIKeyFJVZTNNGRFPYGI-UHFFFAOYSA-N
XLogP5.34
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline?
The IUPAC name of 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline (CID 56605160) is 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline.
What is the SMILES notation for 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline?
The canonical SMILES for 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline is COc1ccc(COc2cc(-n3ccc(C(F)(F)F)n3)nc3c(C)c(OC)ccc23)cc1.
What is the InChIKey of 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline?
The InChIKey is FJVZTNNGRFPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-14-18(31-3)9-8-17-19(32-13-15-4-6-16(30-2)7-5-15)12-21(27-22(14)17)29-11-10-20(28-29)23(24,25)26/h4-12H,13H2,1-3H3.
What are the key properties of 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline?
7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline has a molecular weight of 443.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(4-methoxyphenyl)methoxy]-8-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinoline is sourced from PubChem (CID 56605160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).