(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C24H25N3O3 — CID 90452161

IUPAC(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C)cn3)C1C2
InChIInChI=1S/C24H25N3O3/c1-3-29-19-8-7-17-5-4-10-25-23(17)22(19)24(28)27-14-16-11-18(27)20(12-16)30-21-9-6-15(2)13-26-21/h4-10,13,16,18,20H,3,11-12,14H2,1-2H3
InChIKeyQSOKKHHEAHRAOV-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.02
Rot. Bonds5

About (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone

(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 90452161) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID90452161
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C)cn3)C1C2
InChIInChI=1S/C24H25N3O3/c1-3-29-19-8-7-17-5-4-10-25-23(17)22(19)24(28)27-14-16-11-18(27)20(12-16)30-21-9-6-15(2)13-26-21/h4-10,13,16,18,20H,3,11-12,14H2,1-2H3
InChIKeyQSOKKHHEAHRAOV-UHFFFAOYSA-N
XLogP4.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone with MolForge

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Related Compounds

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyridin-2-ylphenyl)methanone
CID 126745488
(3-ethoxy-6-methyl-2-pyridinyl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 86270574
(4-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90452171
(3-ethoxyisoquinolin-4-yl)-[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90452155
[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrazin-2-ylphenyl)methanone
CID 126745492
[6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 126745695
[(1S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 175790649
[(1S,4R,6R)-6-[[5-(difluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 118876755
[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 126745497
(2-fluoro-6-pyrimidin-2-ylphenyl)-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 90414118
(4-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,4S,6R)-6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 140702394
[6-(5-methylpyrazin-2-yl)oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 126745391

Frequently Asked Questions

What is the IUPAC name of (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 90452161) is (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is CCOc1ccc2cccnc2c1C(=O)N1CC2CC(Oc3ccc(C)cn3)C1C2.
What is the InChIKey of (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is QSOKKHHEAHRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-29-19-8-7-17-5-4-10-25-23(17)22(19)24(28)27-14-16-11-18(27)20(12-16)30-21-9-6-15(2)13-26-21/h4-10,13,16,18,20H,3,11-12,14H2,1-2H3.
What are the key properties of (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone?
(7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxyquinolin-8-yl)-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 90452161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).