8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline

C21H28N2O — CID 98114849

IUPAC8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
SMILESCOc1cccc2c(C)cc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)nc12
InChIInChI=1S/C21H28N2O/c1-14-9-18(22-19-16(14)7-6-8-17(19)24-5)23-13-21(4)11-15(23)10-20(2,3)12-21/h6-9,15H,10-13H2,1-5H3/t15-,21+/m0/s1
InChIKeyBIJPJNJJHIEOHJ-YCRPNKLZSA-N
MW324.47 g/mol
LogP4.96
Rot. Bonds2

About 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline

8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline (PubChem CID 98114849) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline.

Molecular Properties

Compound Name8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
PubChem CID98114849
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
SMILESCOc1cccc2c(C)cc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)nc12
InChIInChI=1S/C21H28N2O/c1-14-9-18(22-19-16(14)7-6-8-17(19)24-5)23-13-21(4)11-15(23)10-20(2,3)12-21/h6-9,15H,10-13H2,1-5H3/t15-,21+/m0/s1
InChIKeyBIJPJNJJHIEOHJ-YCRPNKLZSA-N
XLogP4.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The IUPAC name of 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline (CID 98114849) is 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline.
What is the SMILES notation for 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The canonical SMILES for 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline is COc1cccc2c(C)cc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)nc12.
What is the InChIKey of 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
The InChIKey is BIJPJNJJHIEOHJ-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H28N2O/c1-14-9-18(22-19-16(14)7-6-8-17(19)24-5)23-13-21(4)11-15(23)10-20(2,3)12-21/h6-9,15H,10-13H2,1-5H3/t15-,21+/m0/s1.
What are the key properties of 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline?
8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline has a molecular weight of 324.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline is sourced from PubChem (CID 98114849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).