3-fluoro-6-phenylindazolo[3,2-a]isoquinoline

C21H13FN2 — CID 56971059

IUPAC3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21
InChIInChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H
InChIKeyMDJMVHPJSFZISQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP5.45
Rot. Bonds1

About 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline

3-fluoro-6-phenylindazolo[3,2-a]isoquinoline (PubChem CID 56971059) has the molecular formula C21H13FN2 and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
PubChem CID56971059
Molecular FormulaC21H13FN2
Molecular Weight312.35 g/mol
Exact Mass312.11
IUPAC Name3-fluoro-6-phenylindazolo[3,2-a]isoquinoline
SMILESFc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21
InChIInChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H
InChIKeyMDJMVHPJSFZISQ-UHFFFAOYSA-N
XLogP5.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The IUPAC name of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline (CID 56971059) is 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline.
What is the SMILES notation for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The canonical SMILES for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline is Fc1ccc2c(c1)cc(-c1ccccc1)n1nc3ccccc3c21.
What is the InChIKey of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
The InChIKey is MDJMVHPJSFZISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2/c22-16-10-11-17-15(12-16)13-20(14-6-2-1-3-7-14)24-21(17)18-8-4-5-9-19(18)23-24/h1-13H.
What are the key properties of 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline?
3-fluoro-6-phenylindazolo[3,2-a]isoquinoline has a molecular weight of 312.35 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-phenylindazolo[3,2-a]isoquinoline is sourced from PubChem (CID 56971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).