6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

C17H17F3N2O2 — CID 4781445

IUPAC6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C17H17F3N2O2/c1-23-14-7-11-5-6-22(10-12(11)8-15(14)24-2)16-4-3-13(9-21-16)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyCEBOZEIHJKGDPY-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.68
Rot. Bonds3

About 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 4781445) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID4781445
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C17H17F3N2O2/c1-23-14-7-11-5-6-22(10-12(11)8-15(14)24-2)16-4-3-13(9-21-16)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3
InChIKeyCEBOZEIHJKGDPY-UHFFFAOYSA-N
XLogP3.68
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 4781445) is 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CEBOZEIHJKGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-23-14-7-11-5-6-22(10-12(11)8-15(14)24-2)16-4-3-13(9-21-16)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 338.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4781445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).