(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone

C18H19ClN2O2 — CID 154741586

IUPAC(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CC2CCC1C(CO)C2
InChIInChI=1S/C18H19ClN2O2/c19-14-7-12-2-1-5-20-17(12)15(8-14)18(23)21-9-11-3-4-16(21)13(6-11)10-22/h1-2,5,7-8,11,13,16,22H,3-4,6,9-10H2
InChIKeyIMVFJRSVFDDQCM-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.12
Rot. Bonds2

About (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone

(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 154741586) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID154741586
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CC2CCC1C(CO)C2
InChIInChI=1S/C18H19ClN2O2/c19-14-7-12-2-1-5-20-17(12)15(8-14)18(23)21-9-11-3-4-16(21)13(6-11)10-22/h1-2,5,7-8,11,13,16,22H,3-4,6,9-10H2
InChIKeyIMVFJRSVFDDQCM-UHFFFAOYSA-N
XLogP3.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 154741586) is (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone is O=C(c1cc(Cl)cc2cccnc12)N1CC2CCC1C(CO)C2.
What is the InChIKey of (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is IMVFJRSVFDDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-7-12-2-1-5-20-17(12)15(8-14)18(23)21-9-11-3-4-16(21)13(6-11)10-22/h1-2,5,7-8,11,13,16,22H,3-4,6,9-10H2.
What are the key properties of (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone?
(6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 330.81 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-[6-(hydroxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 154741586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).