8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

C31H23F2N5 — CID 71181355

IUPAC8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(N(c2cn3ccc4cc(F)ccc4c3n2)c2cn3ccc4cc(F)ccc4c3n2)c(C)c1
InChIInChI=1S/C31H23F2N5/c1-18-12-19(2)29(20(3)13-18)38(27-16-36-10-8-21-14-23(32)4-6-25(21)30(36)34-27)28-17-37-11-9-22-15-24(33)5-7-26(22)31(37)35-28/h4-17H,1-3H3
InChIKeyWNDAVBVGMOJPGB-UHFFFAOYSA-N
MW503.56 g/mol
LogP7.96
Rot. Bonds3

About 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine

8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (PubChem CID 71181355) has the molecular formula C31H23F2N5 and a molecular weight of 503.56 g/mol. Its IUPAC name is 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.

Molecular Properties

Compound Name8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
PubChem CID71181355
Molecular FormulaC31H23F2N5
Molecular Weight503.56 g/mol
Exact Mass503.19
IUPAC Name8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine
SMILESCc1cc(C)c(N(c2cn3ccc4cc(F)ccc4c3n2)c2cn3ccc4cc(F)ccc4c3n2)c(C)c1
InChIInChI=1S/C31H23F2N5/c1-18-12-19(2)29(20(3)13-18)38(27-16-36-10-8-21-14-23(32)4-6-25(21)30(36)34-27)28-17-37-11-9-22-15-24(33)5-7-26(22)31(37)35-28/h4-17H,1-3H3
InChIKeyWNDAVBVGMOJPGB-UHFFFAOYSA-N
XLogP7.96
TPSA37.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The IUPAC name of 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine (CID 71181355) is 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine.
What is the SMILES notation for 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The canonical SMILES for 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is Cc1cc(C)c(N(c2cn3ccc4cc(F)ccc4c3n2)c2cn3ccc4cc(F)ccc4c3n2)c(C)c1.
What is the InChIKey of 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
The InChIKey is WNDAVBVGMOJPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F2N5/c1-18-12-19(2)29(20(3)13-18)38(27-16-36-10-8-21-14-23(32)4-6-25(21)30(36)34-27)28-17-37-11-9-22-15-24(33)5-7-26(22)31(37)35-28/h4-17H,1-3H3.
What are the key properties of 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine?
8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine has a molecular weight of 503.56 g/mol, XLogP of 7.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(8-fluoroimidazo[2,1-a]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)imidazo[2,1-a]isoquinolin-2-amine is sourced from PubChem (CID 71181355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).