5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline

C22H16F3NO2 — CID 45050921

IUPAC5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline
SMILESCOc1cc(OC)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H16F3NO2/c1-27-16-10-19-21(20(11-16)28-2)17(22(23,24)25)12-18(26-19)15-8-7-13-5-3-4-6-14(13)9-15/h3-12H,1-2H3
InChIKeyKVOAAWJPLSYANN-UHFFFAOYSA-N
MW383.37 g/mol
LogP6.09
Rot. Bonds3

About 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline

5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline (PubChem CID 45050921) has the molecular formula C22H16F3NO2 and a molecular weight of 383.37 g/mol. Its IUPAC name is 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline
PubChem CID45050921
Molecular FormulaC22H16F3NO2
Molecular Weight383.37 g/mol
Exact Mass383.11
IUPAC Name5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline
SMILESCOc1cc(OC)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C22H16F3NO2/c1-27-16-10-19-21(20(11-16)28-2)17(22(23,24)25)12-18(26-19)15-8-7-13-5-3-4-6-14(13)9-15/h3-12H,1-2H3
InChIKeyKVOAAWJPLSYANN-UHFFFAOYSA-N
XLogP6.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline?
The IUPAC name of 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline (CID 45050921) is 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline?
The canonical SMILES for 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline is COc1cc(OC)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline?
The InChIKey is KVOAAWJPLSYANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO2/c1-27-16-10-19-21(20(11-16)28-2)17(22(23,24)25)12-18(26-19)15-8-7-13-5-3-4-6-14(13)9-15/h3-12H,1-2H3.
What are the key properties of 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline?
5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline has a molecular weight of 383.37 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-naphthalen-2-yl-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 45050921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).