(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C23H24N2 — CID 58926615

IUPAC(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@@H]1CC[C@H](C2)N(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H24N2/c1-2-7-20-14-22-12-9-17(13-19(20)6-1)15-25(22)16-21-11-10-18-5-3-4-8-23(18)24-21/h1-8,10-11,17,22H,9,12-16H2/t17-,22+/m0/s1
InChIKeyRJIXFNSFQYLJLR-HTAPYJJXSA-N
MW328.46 g/mol
LogP4.61
Rot. Bonds2

About (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 58926615) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID58926615
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESc1ccc2c(c1)C[C@@H]1CC[C@H](C2)N(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H24N2/c1-2-7-20-14-22-12-9-17(13-19(20)6-1)15-25(22)16-21-11-10-18-5-3-4-8-23(18)24-21/h1-8,10-11,17,22H,9,12-16H2/t17-,22+/m0/s1
InChIKeyRJIXFNSFQYLJLR-HTAPYJJXSA-N
XLogP4.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 58926615) is (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is c1ccc2c(c1)C[C@@H]1CC[C@H](C2)N(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is RJIXFNSFQYLJLR-HTAPYJJXSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-7-20-14-22-12-9-17(13-19(20)6-1)15-25(22)16-21-11-10-18-5-3-4-8-23(18)24-21/h1-8,10-11,17,22H,9,12-16H2/t17-,22+/m0/s1.
What are the key properties of (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
(1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 328.46 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-11-(quinolin-2-ylmethyl)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 58926615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).