1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate

C18H20N2O3 — CID 10320372

IUPAC1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
SMILESCOc1cc(C(=O)OC2CN3CCC2CC3)nc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-22-16-10-15(19-14-5-3-2-4-13(14)16)18(21)23-17-11-20-8-6-12(17)7-9-20/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyRFNQWLBBIIWXLI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.49
Rot. Bonds3

About 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate

1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate (PubChem CID 10320372) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
PubChem CID10320372
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate
SMILESCOc1cc(C(=O)OC2CN3CCC2CC3)nc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-22-16-10-15(19-14-5-3-2-4-13(14)16)18(21)23-17-11-20-8-6-12(17)7-9-20/h2-5,10,12,17H,6-9,11H2,1H3
InChIKeyRFNQWLBBIIWXLI-UHFFFAOYSA-N
XLogP2.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyquinolin-2-yl)ethanone
CID 22954601
N-[(4aR,6S,7aS)-2-(4-methoxyquinoline-2-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylmethanesulfonamide
CID 169414814
1-azabicyclo[2.2.2]octan-3-yl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6249439
4-methoxy-2-prop-1-en-2-ylquinoline
CID 119087132
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
1-azabicyclo[2.2.2]octan-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenylcarbamate
CID 155565770
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
1-azabicyclo[2.2.2]octan-3-yl N-naphthalen-1-yl-N-propan-2-ylcarbamate
CID 175101324
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-amino-2-phenylacetate
CID 86720689
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
1-azabicyclo[2.2.2]octan-3-yl 5-methoxy-1H-indazole-3-carboxylate;formic acid
CID 11695936

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate?
The IUPAC name of 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate (CID 10320372) is 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate.
What is the SMILES notation for 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate?
The canonical SMILES for 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate is COc1cc(C(=O)OC2CN3CCC2CC3)nc2ccccc12.
What is the InChIKey of 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate?
The InChIKey is RFNQWLBBIIWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-10-15(19-14-5-3-2-4-13(14)16)18(21)23-17-11-20-8-6-12(17)7-9-20/h2-5,10,12,17H,6-9,11H2,1H3.
What are the key properties of 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate?
1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octan-3-yl 4-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 10320372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).