2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline

C18H13F3N2O2 — CID 176549511

IUPAC2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline
SMILESCOc1cc2cc(C(F)(F)F)n3nc4ccccc4c3c2cc1OC
InChIInChI=1S/C18H13F3N2O2/c1-24-14-7-10-8-16(18(19,20)21)23-17(12(10)9-15(14)25-2)11-5-3-4-6-13(11)22-23/h3-9H,1-2H3
InChIKeyIVNBAPNYJLFLAW-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.68
Rot. Bonds2

About 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline

2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline (PubChem CID 176549511) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline
PubChem CID176549511
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline
SMILESCOc1cc2cc(C(F)(F)F)n3nc4ccccc4c3c2cc1OC
InChIInChI=1S/C18H13F3N2O2/c1-24-14-7-10-8-16(18(19,20)21)23-17(12(10)9-15(14)25-2)11-5-3-4-6-13(11)22-23/h3-9H,1-2H3
InChIKeyIVNBAPNYJLFLAW-UHFFFAOYSA-N
XLogP4.68
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline?
The IUPAC name of 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline (CID 176549511) is 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline.
What is the SMILES notation for 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline?
The canonical SMILES for 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline is COc1cc2cc(C(F)(F)F)n3nc4ccccc4c3c2cc1OC.
What is the InChIKey of 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline?
The InChIKey is IVNBAPNYJLFLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-24-14-7-10-8-16(18(19,20)21)23-17(12(10)9-15(14)25-2)11-5-3-4-6-13(11)22-23/h3-9H,1-2H3.
What are the key properties of 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline?
2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline has a molecular weight of 346.31 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-(trifluoromethyl)indazolo[3,2-a]isoquinoline is sourced from PubChem (CID 176549511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).