(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride

C19H24Cl2N2O — CID 44536014

IUPAC(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
SMILESCC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(Cl)cc12.Cl
InChIInChI=1S/C19H23ClN2O.ClH/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17;/h3-5,7,10,12-13,18-19,23H,2,6,8-9,11H2,1H3;1H/t12-,13+,18-,19+;/m0./s1
InChIKeyOBYBPJUKAFPCSA-XZUOLQFPSA-N
MW367.32 g/mol
LogP4.46
Rot. Bonds3

About (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride

(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride (PubChem CID 44536014) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
PubChem CID44536014
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
SMILESCC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(Cl)cc12.Cl
InChIInChI=1S/C19H23ClN2O.ClH/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17;/h3-5,7,10,12-13,18-19,23H,2,6,8-9,11H2,1H3;1H/t12-,13+,18-,19+;/m0./s1
InChIKeyOBYBPJUKAFPCSA-XZUOLQFPSA-N
XLogP4.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride?
The IUPAC name of (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride (CID 44536014) is (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride.
What is the SMILES notation for (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride?
The canonical SMILES for (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride is CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2ccc(Cl)cc12.Cl.
What is the InChIKey of (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride?
The InChIKey is OBYBPJUKAFPCSA-XZUOLQFPSA-N. The full InChI is InChI=1S/C19H23ClN2O.ClH/c1-2-12-11-22-8-6-13(12)9-18(22)19(23)15-5-7-21-17-4-3-14(20)10-16(15)17;/h3-5,7,10,12-13,18-19,23H,2,6,8-9,11H2,1H3;1H/t12-,13+,18-,19+;/m0./s1.
What are the key properties of (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride?
(R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride has a molecular weight of 367.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-chloroquinolin-4-yl)-[(2S,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 44536014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).