4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline

C22H15F3N2O — CID 15891218

IUPAC4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline
SMILESCOc1ccc(-c2cnnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1
InChIInChI=1S/C22H15F3N2O/c1-28-17-11-7-15(8-12-17)20-13-26-27-21-18(3-2-4-19(20)21)14-5-9-16(10-6-14)22(23,24)25/h2-13H,1H3
InChIKeyRCZALMBKRQENRC-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.99
Rot. Bonds3

About 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline

4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline (PubChem CID 15891218) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline
PubChem CID15891218
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline
SMILESCOc1ccc(-c2cnnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1
InChIInChI=1S/C22H15F3N2O/c1-28-17-11-7-15(8-12-17)20-13-26-27-21-18(3-2-4-19(20)21)14-5-9-16(10-6-14)22(23,24)25/h2-13H,1H3
InChIKeyRCZALMBKRQENRC-UHFFFAOYSA-N
XLogP5.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline?
The IUPAC name of 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline (CID 15891218) is 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline?
The canonical SMILES for 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline is COc1ccc(-c2cnnc3c(-c4ccc(C(F)(F)F)cc4)cccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline?
The InChIKey is RCZALMBKRQENRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-28-17-11-7-15(8-12-17)20-13-26-27-21-18(3-2-4-19(20)21)14-5-9-16(10-6-14)22(23,24)25/h2-13H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline?
4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline has a molecular weight of 380.37 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline is sourced from PubChem (CID 15891218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).