4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline

C20H24N2 — CID 155528499

IUPAC4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline
SMILESCC1=CC[C@@H]2C[C@H]1[C@@H](c1ccnc3ccccc13)NC2(C)C
InChIInChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
InChIKeyHQDLJJQZMYAAPU-LSBZLQRGSA-N
MW292.43 g/mol
LogP4.63
Rot. Bonds1

About 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline

4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline (PubChem CID 155528499) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline.

Molecular Properties

Compound Name4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline
PubChem CID155528499
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline
SMILESCC1=CC[C@@H]2C[C@H]1[C@@H](c1ccnc3ccccc13)NC2(C)C
InChIInChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1
InChIKeyHQDLJJQZMYAAPU-LSBZLQRGSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline?
The IUPAC name of 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline (CID 155528499) is 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline.
What is the SMILES notation for 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline?
The canonical SMILES for 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline is CC1=CC[C@@H]2C[C@H]1[C@@H](c1ccnc3ccccc13)NC2(C)C.
What is the InChIKey of 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline?
The InChIKey is HQDLJJQZMYAAPU-LSBZLQRGSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-8-9-14-12-17(13)19(22-20(14,2)3)16-10-11-21-18-7-5-4-6-15(16)18/h4-8,10-11,14,17,19,22H,9,12H2,1-3H3/t14-,17-,19-/m1/s1.
What are the key properties of 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline?
4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline has a molecular weight of 292.43 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S,5R)-4,4,8-trimethyl-3-azabicyclo[3.3.1]non-7-en-2-yl]quinoline is sourced from PubChem (CID 155528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).