(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C24H25N3O3 — CID 142798921

IUPAC(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1cnc2ccccc2c1C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2
InChIInChI=1S/C24H25N3O3/c1-2-29-21-14-26-19-8-4-3-7-18(19)23(21)24(28)27-17-10-11-20(27)16(13-17)15-30-22-9-5-6-12-25-22/h3-9,12,14,16-17,20H,2,10-11,13,15H2,1H3/t16-,17+,20-/m0/s1
InChIKeyWTVJVSNVQIFWII-QKLQHJQFSA-N
MW403.48 g/mol
LogP4.10
Rot. Bonds6

About (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 142798921) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID142798921
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1cnc2ccccc2c1C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2
InChIInChI=1S/C24H25N3O3/c1-2-29-21-14-26-19-8-4-3-7-18(19)23(21)24(28)27-17-10-11-20(27)16(13-17)15-30-22-9-5-6-12-25-22/h3-9,12,14,16-17,20H,2,10-11,13,15H2,1H3/t16-,17+,20-/m0/s1
InChIKeyWTVJVSNVQIFWII-QKLQHJQFSA-N
XLogP4.10
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Related Compounds

(2-ethoxy-6-methyl-3-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412757
(5-fluoro-2-pyrimidin-2-ylphenyl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412113
(6-methyl-3-piperazin-1-yl-2-pyridinyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412011
[3-fluoro-2-(triazol-2-yl)phenyl]-[2-(quinoxalin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412705
[2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-8-ylmethanone
CID 90442498
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyrimidin-4-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412989
[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-methyl-5-phenyl-1,2-oxazol-4-yl)methanone
CID 90442501
(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849120
(3-fluoro-2-pyrimidin-2-ylphenyl)-[5-(pyridin-2-yloxymethyl)-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305852
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(quinoxalin-2-ylmethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159408205
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 142798921) is (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is CCOc1cnc2ccccc2c1C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2.
What is the InChIKey of (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is WTVJVSNVQIFWII-QKLQHJQFSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-29-21-14-26-19-8-4-3-7-18(19)23(21)24(28)27-17-10-11-20(27)16(13-17)15-30-22-9-5-6-12-25-22/h3-9,12,14,16-17,20H,2,10-11,13,15H2,1H3/t16-,17+,20-/m0/s1.
What are the key properties of (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyquinolin-4-yl)-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 142798921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).