10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline

C18H12F3NO — CID 57343655

IUPAC10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1)cc1c3ccccc3cc(C(F)(F)F)n21
InChIInChI=1S/C18H12F3NO/c1-23-13-6-7-15-12(8-13)9-16-14-5-3-2-4-11(14)10-17(22(15)16)18(19,20)21/h2-10H,1H3
InChIKeyYJJDYEXHSYMOEI-UHFFFAOYSA-N
MW315.29 g/mol
LogP5.27
Rot. Bonds1

About 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline

10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline (PubChem CID 57343655) has the molecular formula C18H12F3NO and a molecular weight of 315.29 g/mol. Its IUPAC name is 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline
PubChem CID57343655
Molecular FormulaC18H12F3NO
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1)cc1c3ccccc3cc(C(F)(F)F)n21
InChIInChI=1S/C18H12F3NO/c1-23-13-6-7-15-12(8-13)9-16-14-5-3-2-4-11(14)10-17(22(15)16)18(19,20)21/h2-10H,1H3
InChIKeyYJJDYEXHSYMOEI-UHFFFAOYSA-N
XLogP5.27
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline?
The IUPAC name of 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline (CID 57343655) is 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline.
What is the SMILES notation for 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline?
The canonical SMILES for 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline is COc1ccc2c(c1)cc1c3ccccc3cc(C(F)(F)F)n21.
What is the InChIKey of 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline?
The InChIKey is YJJDYEXHSYMOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO/c1-23-13-6-7-15-12(8-13)9-16-14-5-3-2-4-11(14)10-17(22(15)16)18(19,20)21/h2-10H,1H3.
What are the key properties of 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline?
10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline has a molecular weight of 315.29 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-6-(trifluoromethyl)indolo[2,1-a]isoquinoline is sourced from PubChem (CID 57343655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).