(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

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

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Related Compounds

(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
(6-chloroquinolin-8-yl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877406
(6-chloroquinolin-8-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97094000
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
6-chloro-N-piperidin-4-ylquinoline-8-carboxamide
CID 119386656
(6-chloroquinolin-8-yl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 51107660
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
(4aR,8aS)-6-(6-chloroquinoline-8-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 166294355
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55950411
6-chloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)quinoline-8-carboxamide
CID 86772174

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).