2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine

C17H20ClN3 — CID 115959540

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine
SMILESNCC(c1ccc(Cl)c2cccnc12)N1CC2CCC1C2
InChIInChI=1S/C17H20ClN3/c18-15-6-5-14(17-13(15)2-1-7-20-17)16(9-19)21-10-11-3-4-12(21)8-11/h1-2,5-7,11-12,16H,3-4,8-10,19H2
InChIKeyQTOLQUJSBFFSCN-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.37
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine (PubChem CID 115959540) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine
PubChem CID115959540
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine
SMILESNCC(c1ccc(Cl)c2cccnc12)N1CC2CCC1C2
InChIInChI=1S/C17H20ClN3/c18-15-6-5-14(17-13(15)2-1-7-20-17)16(9-19)21-10-11-3-4-12(21)8-11/h1-2,5-7,11-12,16H,3-4,8-10,19H2
InChIKeyQTOLQUJSBFFSCN-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine (CID 115959540) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine is NCC(c1ccc(Cl)c2cccnc12)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine?
The InChIKey is QTOLQUJSBFFSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-15-6-5-14(17-13(15)2-1-7-20-17)16(9-19)21-10-11-3-4-12(21)8-11/h1-2,5-7,11-12,16H,3-4,8-10,19H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine has a molecular weight of 301.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine is sourced from PubChem (CID 115959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).