8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

C17H21N3O — CID 63764103

IUPAC8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1cnc2ccccc2c1N1C2CCC1CC(O)C2
InChIInChI=1S/C17H21N3O/c18-9-11-10-19-16-4-2-1-3-15(16)17(11)20-12-5-6-13(20)8-14(21)7-12/h1-4,10,12-14,21H,5-9,18H2
InChIKeyXPUNGVBTIVURKZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds2

About 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764103) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764103
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESNCc1cnc2ccccc2c1N1C2CCC1CC(O)C2
InChIInChI=1S/C17H21N3O/c18-9-11-10-19-16-4-2-1-3-15(16)17(11)20-12-5-6-13(20)8-14(21)7-12/h1-4,10,12-14,21H,5-9,18H2
InChIKeyXPUNGVBTIVURKZ-UHFFFAOYSA-N
XLogP2.19
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63764103) is 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is NCc1cnc2ccccc2c1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XPUNGVBTIVURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-9-11-10-19-16-4-2-1-3-15(16)17(11)20-12-5-6-13(20)8-14(21)7-12/h1-4,10,12-14,21H,5-9,18H2.
What are the key properties of 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)quinolin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).