[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone

C23H27N3O3 — CID 135111845

IUPAC[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone
SMILESCC[C@]1(C(=O)N2CCOCC2)C[C@H]2CC[C@@H]1N2C(=O)c1cccc2ncccc12
InChIInChI=1S/C23H27N3O3/c1-2-23(22(28)25-11-13-29-14-12-25)15-16-8-9-20(23)26(16)21(27)18-5-3-7-19-17(18)6-4-10-24-19/h3-7,10,16,20H,2,8-9,11-15H2,1H3/t16-,20+,23+/m1/s1
InChIKeyIBZQGEMZDNMVQG-CGYQNGNCSA-N
MW393.49 g/mol
LogP2.87
Rot. Bonds3

About [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone

[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone (PubChem CID 135111845) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone
PubChem CID135111845
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone
SMILESCC[C@]1(C(=O)N2CCOCC2)C[C@H]2CC[C@@H]1N2C(=O)c1cccc2ncccc12
InChIInChI=1S/C23H27N3O3/c1-2-23(22(28)25-11-13-29-14-12-25)15-16-8-9-20(23)26(16)21(27)18-5-3-7-19-17(18)6-4-10-24-19/h3-7,10,16,20H,2,8-9,11-15H2,1H3/t16-,20+,23+/m1/s1
InChIKeyIBZQGEMZDNMVQG-CGYQNGNCSA-N
XLogP2.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

(3-hydroxyphenyl)-[(1S,2S,4R)-2-(3-methylbutyl)-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 169420272
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025
(1R,2R,4S)-2-ethyl-7-(1-methylindole-3-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146039950
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
CID 98066976
ethyl (1S,2S,4R)-7-(2H-benzotriazole-4-carbonyl)-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164698554
(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
CID 95839532
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone (CID 135111845) is [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone is CC[C@]1(C(=O)N2CCOCC2)C[C@H]2CC[C@@H]1N2C(=O)c1cccc2ncccc12.
What is the InChIKey of [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone?
The InChIKey is IBZQGEMZDNMVQG-CGYQNGNCSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-23(22(28)25-11-13-29-14-12-25)15-16-8-9-20(23)26(16)21(27)18-5-3-7-19-17(18)6-4-10-24-19/h3-7,10,16,20H,2,8-9,11-15H2,1H3/t16-,20+,23+/m1/s1.
What are the key properties of [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone?
[(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone has a molecular weight of 393.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-ethyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 135111845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).